Scientific papers


2022
383.

M. V. Pereira, E. Datti, G. R. Alvarenga, B. C. Janegitz, J. A. Bonacin. 3D printing and its  applications in spectroelectrochemistry, Microchemical Journal 183, 108083 (2022).

382.

F. L. de Araújo, A. F. Nogueira, J. N. de Freitas. Facile Methods for the Assembly of Large-Area  Perovskite Solar Cells and Mini-Module: A Step-by-Step Description of Layers Processing, Journal of the Brazilian Chemical Society (2022). 

381.

J. Fiates, R. H. Ratochinski, T. C. Lourenço, J. L.F. Da Silva, L. G. Dias. Fluoroalkoxyaluminate based ionic liquids as electrolytes for sodium-ion batteries, Journal of Molecular Liquids, 120919 (2022). 

380.

C. M. Godoi, I. M. Gutierrez, P. V. R. Gomes, J. F. Coelho, P. J. Zambiazi, L. Otubo, A. O. Neto and R. F. B. de Souza. Production of methanol on PdCu/ATO in a polymeric electrolyte reactor of the fuel cell type from methane, Methane 1 218-228 (2022)

379.

V. B. Tinti, A. Kabir, D.Z.de Florio, V. Esposito. The role of dopant on the defect chemistry of metal oxides, Metal Oxide Defects (2022).

378.

J. F. Coelho, Isabely M. Gutierrez, C. M. Godoi, P. V. R. Gomes, P. J. Zambiazi, R. F. B. de Souza and A. O. Neto. Methane-to-methanol conversion and power co-generation on palladium: nickel supported on antimony tin oxide catalysts in a polymeric electrolyte reactor-fuel cell (PER-FC), Research on Chemical Intermediates (2022)

377.

R. L. Germscheidt, D. S. Francischini, M. B. Silva, M. A. Z. Arruda, A. L. B. Formiga, T. C. R. Rocha and J. A. Bonacin. Water Oxidation Performance Enhanced by Electrochemically Designed Vacancies on a Prussian Blue Catalyst, ACS Applied Energy Materials 8, 9447-9454 (2022)

376.

L. R. da Silva, F. O. Morais, J. P. A. de Mendonça, B. R. L. Galvão, and J. L. F. Da Silva. Theoretical investigation of the stability of A55nBn nanoalloys (A, B = Al, Cu, Zn, Ag), Computational Materials Science 215, 111805 (2022).

375.

A. C. Vendite, T. A. Soares, K. Coutinho. The effect of surface composition on the selective capture of atmospheric CO2 by ZIF nanoparticles: the case of ZIF-8, Journal of Chemical Information and Modeling (2022).

374.

J. P. A. de Mendonça, F. V. Calderan, T. C. Lourenço, M. G. Quiles, and J. L. F. Da Silva. Theoretical framework based on molecular dynamics and data mining analyses for the study of the potential energy surfaces of finite-size particles, Journal of Chemical Information and Modeling 22, 5503–5512 (2022).

373.

W. G. Nunes, B. M. Pires, E. H. N. S. Thaines, G. M. A. Pereira, L. M. da Silva, R. G. Freitas and H. Zanin. Operando raman spectroelectrochemical study of polyaniline degradation: A joint experimental and theoretical analysis, Journal of Energy Storage 55, 105770 (2022).

372.

L. Scalon, R. Szostak, F. L. Araújo, K. F. Adriani, J. F. R. V. Silveira, W. X. C. Oliveira, J. L. F. Da Silva, C. C. Oliveira, and A. F. Nogueira. Improving the stability and efficiency of perovskite solar cells by a bidentate anilinium salt, Journal of the American Chemical Society 6, 1306–1312 (2022).

371.

A. J. P. Neto, D. A. C. Da Silva, V. A. Gonçalves, H. Zanin, R. G. Freitas and E. E.  Fileti. An evaluation of the capacitive behavior of supercapacitors as a function of the radius  of cations using simulations with a constant potential method, Physical Chemistry Chemical  Physics 24, 3280-3288 (2022).

370.

M. Machado, F. Baiutti, L. Bernadet, A. Morata, M. Nuñez, J. P. Ouweltjes, F. C. Fonseca, M.  Torrellb and A. Tarancón. Functional thin films as cathode/electrolyte interlayers: a strategy to  enhance the performance and durability of solid oxide fuel cells, Journal of Materials Chemistry A  33, 1-9 (2022).

369.

P. V. R. Gomes, N. F.B. Azeredo, L. M. S. Garcia, P. J. Zambiazi, G. R. Morselli, R. A. Ando, L. Otubo,  D. R.R. Lazar, R. F. B. de Souza, D. F. Rodrigues, A. O. Neto. Layered graphene/hexagonal boron  nitride nanosheets (Gr/h-BNNs) applied to the CO2 photoconversion into metanol, Applied Materials Today 29, 101605 (2022).

368.

A.S. Barbosa, A. L. G. Biancolli, A. J.C. Lanfredi, O. R. Jr, F. C. Fonseca and E. I. Santiago. Enhancing  the durability and performance of radiation-induced grafted low-density polyethylene-based  anion-exchange membranes by controlling irradiation conditions, Journal of Membrane Science  659, 120804 (2022).

367.

F. J. Trindade, S. Damasceno, L. Otubo, M. R. Felez, D. Z. de Florio, F. C. Fonseca, and A. S. Ferlauto. Tuning of Shape, Defects, and Disorder in Lanthanum-Doped Ceria Nanoparticles: Implications for High-Temperature Catalysis, ACS Applied Nano Materials 5, 8859-8867 (2022).

366.

A. S. Moraes, G. A. Pinheiro, T. C. Lourenço, M. C. Lopes, M. G. Quiles, L. G. Dias, and J. L. F. Da  Silva. Screening of the role of ionic structure in the electrochemical windows of ionic liquids: density functional theory calculations combined with data mining analyses, Journal of Chemical Information and Modeling 62, 4702–4712 (2022). 

365.

R. G. Pereira, V. O. Valente, R. M. de Souza, L. J. A. Siqueira. Understanding CO2 absorption by an ammonium-based ionic liquid confined in porous carbon material under applied voltage, Journal of Molecular Liquids 366, 120227 (2022).

364.

G. A. Pinheiro, J. L. F. Da Silva, M. G. Quiles. SMICLR: Contrastive learning on multiple molecular representations for semi-supervised and unsupervised representation learning, Journal of  Chemical Information and Modeling 62, 3948–3960 (2022). 

363.

J. F. L. Silva, E. S. Lopes, C. G. Anchieta, M. R. W. Maciel, G. Doubek and R. M. Filho. Biomass in Li-O2 batteries? Deep discharge performance of an O2 electrode based on humins, Chemical Engineering Transactions 92, 337-342 (2022)

362.

L. M. S. Garcia, N. G. P. Filho, K. Chair, P. Kaur, A. S. Ramos, P. J. Zambiazi, R. F. B. De Souza, L. Otubo, A. Duong, A. O. Neto. Methanol electrosynthesis from CO2 reduction reaction in polymer electrolyte reactors e fuel cell type using [6,60-(2,20-bipyridine6,60-diyl)bis(1,3,5-triazine-2,4-diamine)] (dinitrate-O) copper (II) complex, Materials Today Sustainability 19, 100177 (2022).

361.

C. V. Pereira, V. A. Maia, P. J. Zambiazi, R.F.B.de Souza, E. Antolini, A. O. Neto. PtSb/C electrocatalysts for glycerol oxidation in alkaline electrolyte, Results in Chemistry 4, 100375 (2022).

360.

E. O. Bartaquim, R. C. Bezerra, A. F. B. Bittencourt, and J. L. F. Da Silva. Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface, Physical Chemistry Chemical Physics 24, 20294-20302 (2022).

359.

R. Besse, H. Wang, D. West, J. L. F. Da Silva, and S. Zhang. Prediction of effective photoelectron and hole separation in type-I MoS2/PtSe2 van der Waals junction, Journal of Physical Chemistry Letters 13, 6407-6411 (2022).

358.

A. M. Sampaio, J. F. R. V. Silveira, L. G. Dias, J. L. F. Da Silva, and L. J. A. de Siqueira. Adsorption of ionic liquids forming species on Ti3C2Tx MXenes surfaces by firstprinciple calculations, Flat Chem 35, 100413 (2022).

 

357.

M P. Lima, N. A. M. S. Caturello, and J. L. F. Da Silva. Ab initio investigation of the interface between Mo10S24 nanoflakes and the Au(111) surface: interplay between interaction energy and morphology, Applied Surface Science 604, 154413 (2022).

356.

T. Kodalle, R. F. Moral, L. Scalon, R. Szostak, M. Abdelsamie, P. E. Marchezi, A. F. Nogueira, C. M. Sutter-Fella. Revealing the Transient Formation Dynamics and Optoeletronic Properties of 2D Ruddlesden-Popper Phases on 3D Perovskites, Advanced Energy Materials (2022)

355.

J. A. Bonacin, P. L. dos Santos, L. E. S. C. Huamaní & A. L. B. Formiga. Book chapter – Fundaments of Photoinduced Electron Transfer in Inorganic Molecular Systems, Springer Handbook of Inorganic Photochemistry 49–72 (2022)

354.

M. B.Costa, M. A.de Araújo, M. V. de L.Tinoco, J. F. de Brito, L. H. Mascaro. Current trending and beyond for solar-driven water splitting reaction on WO3 photoanodes, Journal of Energy Chemistry 73, 88-113 (2022)

353.

L. Scalon, R. Szostak, F. L. Araújo, K. F. Adriani, J. F. R. V. Silveira, W. X. C. Oliveira, J. L. F. Da Silva, C. C. Oliveira, and A. F. Nogueira. Improving stability and efficiency of perovskite solar cells by a Bi-dentate anilinium salt, JACS Au 6, 1306-1312 (2022).

352.

C. S. T. Peraça, K. F. Andriani, M. J. Piotrowski, and J. L. F. Da Silva. Ab initio Investigation of the CH4 Dehydrogenation on the (CeO2)10 Cluster, Journal of Physical Chemistry C 126, 11937-11948 (2022)

351.

J. F L. Silva, M. C. Policano, G. C. Tonon, C. G. Anchieta, G. Doubek and R. M. Filho. The potential of hydrophobic membranes in enabling the operation of the lithium-air batteries with ambient air, Chemical Engineering Journal Advances 11, 100336 (2022)

350.

T. C. Lourenço, L. M. S. Barros, C. G. Anchieta, T. C. M. Nepel, J. P. O. Júlio, L. G. Dias, R. M. Filho, G. Doubek and J. L. F. Da Silva. Tuning aprotic solvent properties with long alkyl chain ionic liquid for lithium-based electrolytes, Journal of Materials Chemistry A 10, 11684-11701 (2022).

349.

I. R.-Gutiérrez, B. Mouriño, A. L. M. Freitas, C. A. R. Costa, E. L. Pires, R. V. Gonçalves, L. Vayssieres and F. L. Souza. On the effect of thermal processing on Sn diffusion and efficiency enhancement in Hematite/FTO photoanodes, ECS Journal of Solid-State Science and Technology 11, 043001 (2022)

348.

J. F. R. V. Silveira, Rafael Besse, A. C. Dias, Naidel A. M. S. Caturello, and J. L. F. Da Silva. Tailoring excitonic and optoelectronic properties of transition metaldichalcogenide bilayers, Journal of Physical Chemistry C 126, 9173 (2022).

347.

R. A. De Sousa, V. K. Ocampo-Restrepo, L. G. Verga, and J. L. F. Da Silva. Ab initio study of the adsorption properties of CO2 reduction intermediates: the effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 Interface, Journal of Chemical Physics 156, 214106 (2022).

346.

S. Damasceno, F. J. Trindade, F. C. Fonseca, D. Z. de Florio, A. S. Ferlauto. Oxidative coupling of methane in chemical looping designFuel Processing  Technology 231, 107255 (2022).

345.

R. F. B. de Souza , D. Z. Florio, E. Antolini and A.O. Neto. Partial  Methane Oxidation in Fuel Cell-Type Reactors for Co-Generation of Energy and  Chemicals, A Short Review Catalysts 12, 217 (2022).

344.

S. G.M. Carvalho, E. N.S. Muccillo, F. C. Fonseca, M. Müller, F. Schulze-Küppers, S. Baumann, W. A. Meulenberg, O. Guillon, R. Muccillo. Tape-casting and freeze-drying gadolinia-doped ceria composite membranes for  carbon dioxide permeationJournal of Membrane Science 648, 120355 (2022).

343.

V. V. Thyssen, V. B. Vilela, D. Z. de Florio, A. S. Ferlauto and F. C. Fonseca. Direct Conversion of Methane to C2 Hydrocarbons in Solid-State Membrane Reactors at High Temperatures, Chemical  Reviews 122, 3966−3995 (2022).

342.

M. Lima, C. M. Godoi, M. C.L. Santos, J. Nandenha, A. O. Neto, R. F.B. De Souza. CO2 reduction on Cu/C used as a cathode in a polymeric electrolyte reactor, International Journal of Hydrogen Energy 47, 4010-4017 (2021).

341.

A. C. Dias, H. Bragança, M. P. Lima, and J. L. F. Da Silva. First-principles investigation of the role of Cr in the electronic properties of the two-dimensional MoxCr1xSe2 and WxCr1 – xSe2 Alloys, Physical Review Materials 6, 054001 (2022).

340.

T. C. Lourenço, L. M. S. Barros, C. G. Anchieta, T. C. M. Nepel, J. P. O. Júlio, L. G. Dias, R. M. Filho, G. Doubek, and J. L. F. Da Silva. Tuning aprotic solvent properties with long alkyl chain ionic liquid for lithium-based electrolytes, Journal of Materials Chemistry A 10, 11684-11701 (2022).

339.

M. S. Ozório, A. C. Dias, J. F. R. V. Silveira, J. L. F. Da Silva. The role of the inorganic halide complex in the excitonic and optoelectronic properties of lead-free zerodimensional perovskites, Journal of Physical Chemistry C 16, 7245–7255 (2022).

338.

G. K. Inui, J. F. R. V. Silveira, A. C. Dias, R. Besse, and J. L. F. Da Silva. Ab initio screening of two-dimensional CuQx and AgQx chalcogenides, Journal of Physics, Condensed Matter 34, 305703 (2022).

337.

M. N. Collacique, V. K. Ocampo-Restrepo, and J. L. F. Da Silva. Ab initio  investigation of the role of the d-states on the adsorption and activation properties of CO2 on 3d, 4d, and 5d transition-metal clusters, Journal of Chemical Physics 156, 124106 (2022).

336.

A. S. Malik, T. Liu, M. Rittiruam, T. Saelee, J. L. F. Da Silva, S. Praserthdam, and P.  PraserthdamOn a high photocatalytic activity of high-noble alloys Au–Ag /TiO2 catalysts  during oxygen evolution reaction of water oxidation, Scientific Reports 12, 2604 (2022).

335.

M. Rittiruam, P. Sartsri, N. Buasuk, A. Guntida, T. Saelee N. Kerdprasit, P. Aphichoksiri, S. Praserthdam, J. L. F. Da Silva, P. Praserthdam. Experimental and DFT investigations of the performance of ZrO2 catalysts modified with Ce, La , Y, Mg, and Ba oxides during methyl stearate ketonization, Applied Surface Science 585, 152627 (2022).

334.

A. Oliveira, J. L. F. Da Silva, M. G. Quiles. Molecular property prediction and molecular design using a supervised grammar variational autoencoderJournal of  Chemical Information and Modeling 62, 817–828 (2022).

333.

P. H. L. Ferreira, A. M. Sampaio, and L. J. A. Siqueira. Energy and powerperformances of binary mixtures of ionic liquids in planar and porous electrodes by molecular dynamics simulationsElectrochimica Acta 410, 139982 (2022).

332.

L. G. Verga, P. C. D. Mendes, V. K. Ocampo-Restrepo, and J. L. F. Da Silva. Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction, Catalysis Science & Technology 12, 869-879 (2022).

331.

K. F. Andriani, P. F. Sousa, F. O. Morais and J. L. F. Da Silva. Role of quantum-size effects on the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining, Catalysis Science & Technology 12, 916-926 (2022).

330.

K. C. Bedin, B. Mouriño, I. Rodríguez‐Gutiérrez, J. B. Souza Junior, G. T. dos Santos, J. Bettini, C. A. R. Costa, L. Vayssieres, F. L. Souza. Solution chemistry back‐ contact FTO/hematite interface engineering for efficient photocatalytic water oxidation, Chinese Journal of Catalysis 43, 1247-1257 (2022).

329.

E. G. Machado, P. E. Marchezi. E. M. Therézio, J. C. Germino, R. Szostak, C. S. de Brito. Y. G. Gobato, E. C. Pereira, M. F. Toney, R. Nagao, A. F. Nogueira. Lightinduced halide segregation in perovskites with wrinkled morphology, Journal of Energy Chemistry 71, 73-88 (2022).

328.

M. A. Melo, H. A. Centurion, G, Machado, F. L. Souza, R. V. Gonçalves. Binary transition metal NiFeOx and CoFeOx cocatalysts boost the photodriven water oxidation over Fe2TiO5 nanoparticle, Chemistry of Nanomaterials for Energy and More 8, e202100510 (2022).

327.

K. C. Bedin, I. Rodríguez-Gutiérrez, L. R. P. Peregrino, L. Vayssieres, F. L. Souza. On electron loss lowering at hematite photoelectrode interfaces, Journal of the American Ceramic Society (2022).

326.

N. F. V. Borrero, J. M. C. da Silva Filho, N. F. Coutinho, J. N. Freitas, F. C. Marques.  Thermodynamic Analyses on Nanoarchitectonics of Perovskite from Lead Iodide:  Arrhenius Activation Energy, Journal of Inorganic and Organometallic Polymers and  Materials 32, 1259–1265 (2022).

325.

T. W. Von Zuben, D. E. B. Moreira,R. L. Germscheidt, R. G. Yoshimura, D. S.  Dorretto, A. B. S. de Araujo, A. G. Salles Jr., and J. A. Bonacin. Is Hydrogen Indispensable  for a Sustainable World? A Review of H2 Applications and Perspectives for the Next Years,  Journal of the Brazilian Chemical Society 33, 1-20 (2022).

324.

M. Medina, P. G. Corradini, J. F. de Brito, H. L. S. Santos and L. H. Mascaro. The  Substrate Morphology Effect for Sulfur-Rich Amorphous Molybdenum Sulfide for Electrochemical Hydrogen Evolution Reaction, Journal of The Electrochemical Society  169, 026519 (2022).

323.

M. A. de Araújo, M. B. Costa, and L. H. Mascaro. Improved Photoelectrochemical  Hydrogen Gas Generation on Sb2S3 Films Modified with an Earth-Abundant MoSx Co Catalyst, ACS Applied Energy Materials 5, 1, 1010–1022  (2022).

322.

J. F. de Brito, M. A. S. Andrade Jr, M. V. B. Zanoni and L. H. Mascaro, All-solution  processed CuGaS2-based photoelectrodes for CO2 reduction, Journal of CO2 Utilization  57, 101902 (2022).

321.

S. A. Carminati, A. F. Nogueira. SnO2 as thin conformal layer over BiVO4 surface for enhanced charge carrier separation towards Oevolution from water oxidation,  International Journal of Hydrogen Energy 47, 5211 – 5219 (2022).

320.

D. Coelho, J. P. R. S. Gaudêncio and L. H. Mascaro. Boosting the Photocurrent of the WO3/BiVO4 Heterojunction by Photoelectrodeposition of the Oxy-Hydroxide-Phosphates Based on Co, Fe, or Ni, Journal of the Brazilian Chemical Society 33, 743-752 (2022).

319.

Yang, H. A. Atwater, M. A. Baldo, D. Baran, C. J. Barile, M. C. Barr, M. Bates, M. G. Bawendi, M. R. Bergren, B. Borhan, C. J. Brabec, S. Brovelli, V. Bulovic, P. Ceroni, M. G. Debije, J. M. D. Sanchez, W. Ji Dong, P. M. Duxbury, R. C. Evans, S. R. Forrest, D. R. Gamelin, N. C. Giebink, X. Gong, G. Griffini, F. Guo, C. K. Herrera, A. W.Y. Ho-Baillie, R. J. Holmes, S.-Kyu Hong, T. Kirchartz, B. G. Levine, H. Li, Y. Li, D. Liu, M. A. Loi, C. K. Luscombe, N. S. Makarov, F. Mateen, R. Mazzaro, H. McDaniel, M. D. McGehee, F. Meinardi,M.-Velazquez, J. Min, D. B. Mitzi, M. Moemeni, J. Hyuk Moon, A. Nattestad, M.K. Nazeeruddin, A. F. Nogueira, U. W. Paetzold, D. L. Patrick, A. Pucci, B. P. Rand, E. Reichmanis, B. S. Richards, J. Roncali, F. Rosei, T. W. Schmidt, F. So, C.-Ching Tu, A. Vahdani, W. G.J.H.M. van Sark, R. Verduzco,Vomiero, W. W.H. Wong, K. Wu, H.-Lap Yip, X. Zhang, H. Zhao, and R. R. Lunt.Consensus statement: Standardized reporting of power-producing luminescent solar concentrator performance, Joule 6, 8-15 (2022).

318.

R. Venâncio, R. Vicentini, L. H. Costa, R. Teófilo, L. M. da Silva and H. Zanin. In-situ electrochemical and operando Raman techniques to investigate the effect of porosity in different carbon electrodes in organic electrolyte supercapacitors, Journal of Energy Storage 50, 104219 (2022).

317.

M. M. Amaral, V. Y. Yukuhiro, R. Vicentini, A. C. Peterlevitz, L. M. da Silva, P. Fernandez and H. Zanin. Direct observation of the CO2 formation and C–H consumption of carbon electrode in an aqueous neutral electrolyte supercapacitor by in-situ FTIR and Raman, Journal of Energy Chemistry 71, 488-496 (2022).

316.

C. G. Real, E. H. N. S. Thaines, L. A. Pocrifka, R. G. Freitas, G. Singh and H. Zanin. Freestanding niobium pentoxide-decorated multiwalled carbon nanotube electrode: Charge storage mechanism in sodium-ion pseudocapacitor and battery, Journal of Energy Storage 52, 104793 (2022)

315.
314.
313.

M. C. Policano, C. G. Anchieta, T. C. M. Nepel, R. M. Filho and G. Doubek. Water in aprotic Li‑O2 batteries: A critical review, ACS Applied Energy Materials, (2022).

312.

J. P. A. Santos, M. J. Pinzón, E. A. Santos , R. Vicentini, C. J. B. Pagan, L. M. da Silva  and H. Zanin. Boosting energy-storage capability in carbon-based supercapacitors using low temperature water-in-salt electrolytesJournal of Energy Chemistry, 70, 521-530 (2022).

311.

J. P. O. Julio, B. A. B. Francisco, B. P. de Sousa, J. F. L. Silva, C. G. Anchieta, T. C.  M. Nepel, C. B. Rodella, R. M. Filho and G. Doubek. Effect of O2 flow in discharge  products and performance of Li-ObatteriesChemical Engineering Journal Advances 10100271 (2022).

310.

J. Fiates and G. Doubek. Theoretical Insights into Impact of Electrode and Electrolyte  Over Li-Air BatteryJournal of The Electrochemical Society, 169, 030521 (2022).

309.

C. A. Rufino Júnior, E. R. Sanseverino, P. Gallo, D. Koch, H. G. Schweiger and H. Zanin. Blockchain review for battery supply chain monitoring and battery trading, Renewable and Sustainable Energy Reviews 157, 112078 (2022).

308.

C. G. Real, R. Vicentini, W. G. Nunes, A. M.  Pascom, F. A. Campos, L. M. Da Silva, R. G. Freitas and H. ZaninAnalyses of dispersive effects and the distributed capacitance in the time and frequency domains of activated carbon nanofiber electrodes as symmetric supercapacitors, Electrochimica Acta 402, 139299 (2022).

307.

A. C. Queiroz, M. L. Souza, M. R. Camilo, W. O. Silva, D. A. Cantane, I. Messias, M. R. Pinto, R. Nagao, and F. H. B. Lima. Electrochemical mass spectrometry: evolutions of the cell setup for on-line investigation of products and screening of electrocatalysts for carbon dioxide reduction, ChemElectroChem 9, 202101408 (2022).

306.

R. F. Moral, A. B. Hermsdorff, P. E. Marchezi, J. C. Germino, L. G. Bonato, F. L. de Araújo and A. F. Nogueira. Addition of N-(2-Aminoethyl)naphthalimide and mercaptopropionic acid to increase the stability of CsFAMA perovskite solar cells, Journal of the Brazilian Chemical Society 8, 973-983 (2022).

305.

J. F. de Medeiros, M. T. Galante, R. Bertazzoli, C. G. P. dos Santos and C. Longo. Solar-driven photoreactor for water remediation based on n‑Type TiO2 and p‑Type Ag/AgBiW2O8/Bi2WO6 light-responsive air-fed gas diffusion electrodes, ACS EST Water 2, 982–993 (2022).

304.

R. Y. N. Reis, L. A. Goulart, L. H. Mascaro, S. A. Alves. A critical view of the contributions of photoelectrochemical technology to pharmaceutical degradation, Journal of Environmental Chemical Engineering 10, 107859 (2022).

2021
303.

J. M. C. da Silva Filho, A. D. Gonçalves, F. C. Marques, J. N. de Freitas. A review  on the development of metal grids for the upscaling of perovskite solar cells and modules, Solar RRL 2100865 (2021).

302.

P. V. B. Santiago, C. C. Lima, J. L. Bott-Neto, P. S. Fernández, C. A. Angelucci, J. S. Garcia. Perovskite oxides as electrocatalyst for glycerol oxidation, Journal of Electroanalytical Chemistry 896, 115198 (2021).

301.

K. N. Silva and E. Sitta. Oscillatory dynamics during the methanol electrooxidation reaction on Pt(111)Physical Chemistry Chemical Physics 23, 22263–22272 (2021).

300.

G. Mellea, M. B. C. de Souza, P. V. B. Santiago, P. Gon Corradini, L. H. Mascaro, P. S. Fernández, E. Sitta. Glycerol electro-oxidation at Pt in alkaline media: influence of mass transport and cationsElectrochimica Acta 398, 139318 (2021).

299.

J. B. S. Junior, F. L. Souza, L. Vayssieres. On the relevance of understanding and controlling the locations of dopants in hematite photoanodes for low-cost water splitting, Applied Physics Letters 119, 200501 (2021).

298.
297.

A. C. Salomao, M. S. Araujo, H. L. S. Santos, M. Medina, L. H. Mascaro and M. A. S. Andrade Junior. Towards Highly Efficient Chalcopyrite Photocathodes for Water Splitting: The Use of Cocatalysts beyond Pt, Chemistry-Sustainability-Energy-Materials ChemSusChem 14, 4671-4679 (2021)

296.

B. S. Rodrigues, M. Kuznetsova, S. A. A. Oliveira, I. M. Factori, P. V. B. Santiago, P. S. Fernandez and J. S. Souza. Niobate-based perovskites: Characterization, preparation, and photocatalytic properties, Chapter D Composites and Heterijunctions. Tertiary Materials, Materials Science in Photocatalysis (2021).

295.

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R. Vicentini, W. G. Nunes, L. H. da Costa, L. M. Da Silva, B. Freitas, A. M. Pascon, O. V. Boas and H. Zanin. Multi-walled carbon nanotubes and activated carbon composite material as electrodes for electrochemical capacitors, Journal of Energy Storage 33, 100738 (2021).

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B. M. Pires, W. G. Nunes, B. G. Freitas, F. E. Oliveira, V. Katic, C. B. Rodella, L. M. Da Silva and H. Zanin. Characterization of porous cobalt hexacyanoferrate and activated carbon electrodes under dynamic polarization conditions in a sodium-ion pseudocapacitorJournal of Energy Chemistry 54, 53-62   (2021).

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D. A. C. Da Silva, A. J. P. Neto, A. M. Pascon, E. E. Fileti, L. R. C. Fonseca and H. ZaninCombined density functional theory and molecular dynamics simulations to investigate the effects of quantum and double-layer capacitances in functionalized graphene as the electrode material of aqueous-based supercapacitorsThe Journal of Physical Chemistry C 125, 5518-5524 (2021).

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B. Freitas, W. G. Nunes, D. M. Soares, F. C. Rufino, C. M. Moreira, L. M. Da Silva and H. ZaninRobust, flexible, freestanding and high surface area activated carbon and multi-walled carbon nanotubes composite material with outstanding electrode properties for aqueous-based supercapacitorsMaterials Advances 2, 4264-4276 (2021).

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M. Yovanovich, A. J. da Silva, R. F. B. de Souza, V. Ussui, A. O. Neto, D. R. R. LazarConversion of Methane to Methanol Using WO3/TiO2 Porous Photocatalyst. International Journal Of Electrochemical Science 16, 1-14 (2021).

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A. R. Q. Panesi, R. P. Silva, E. F. Cunha, I. Korkischko and E. I. Santiago. Three-dimensional CFD modeling of H2/O2 HT-PEMFC based on H3PO4-doped PBI membranes, IONICS 27, 3461–3475 (2021).

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G. M. Fortes, A. L. da Silva, L. B. Caliman, F. C. Fonseca, D. Gouvêa, Interfacial segregation in Cl-doped nano-ZnO polycrystalline semiconductors and its effect on electrical properties, Ceramics International 47, 24860-24867 (2021).

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R. M. Antoniassi, J. Quiroz, E. C. M. Barbosa, L. S. Parreira, R. A. Isidoro, E. V. Spinacé, J. C. M. Silva and P. H. C. Camargo. Improving the electrocatalytic activities and CO tolerance of Pt NPs by incorporating TiO2 nanocubes onto carbon supports, ChemCatChem 13, 1–10 (2021).

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J. Nandenha, C. E. D. Ramos, S. G. da Silva, R. F. B de Souza, E. H. Fontes, C. A. Ottoni and A. O. NetoBorohydride reduction method for PdIn/C electrocatalusts synthesis towards glycerol electrooxidation under alkaline conditionElectroanalysis 33, 1-7 (2021).

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R. M. Antoniassi, A. P. Machado, A. R. N. Paiva, C. M. S. Queiroz, J. M. Vaz, E. V. Spinacé, J. Cesar M. Silva, E. Carmine, P. H. C. Camargo and R. M. TorresiOne-Step synthesis of PtFe/CeO2 catalyst for the CO-Preferential oxidation reaction at low temperaturesInternational Journal of Hydrogen Energy 46, 17751-17762 (2021).

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A. A. A. da Silva, M. C. Steil, F. N. Tabuti, R. C. Rabelo-Neto, F. B. Noronha, L. V. Mattos and F. C. Fonseca. The role of the ceria dopant on Ni/doped-ceria anodic layer cermets for direct ethanol solid oxide fuel cellInternational Journal of Hydrogen Energy 46, 4309-4328 (2021).

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L. F. Rasteiro, R. A. De Sousa, L. H. Vieira, V. K. Ocampo-Restrepo, L. G. Verga, J. M. Assaf, J. L. F. Da Silva and E. M. Assaf. Insights into the alloy-support synergistic effects for the CO2 hydrogenation towards metanol on oxide-supported Ni5Ga3 catalysts: An experimental and DFT Study, Applied Catalysis B: Environmental 302, 120842 (2021).

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R. C. Bezerra, J. P. A. Mendonça, P. C. D. Mendes, R. R. Passos and J. L. F. Da Silva. Role of the OH-group in the adsorption properties of methanol, ethanol, and ethylene glycol on 15-atom 3d, 4d, and5dtransition-metal clusters, Physical Chemistry Chemical Physics 23, 17533–17566 (2021).

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L. C. Azevedo, G. A. Pinheiro, M. G. Quiles, J. L. F. Da Silva and R. C. Prati. Systematic  investigation  of  error  distribution  in  machine  learning  algorithms applied  to  the  quantum-chemistry  QM9  dataset  using  the  bias  and  variance decomposition, Journal of Chemical Information and Modeling 9, 4210–4223 (2021).

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A. C. Dias, M. P. Lima and J. L. F. Da Silva. Role of structural phases andoctahedra distortions in the optoelectronic and excitonic properties of CsGeX3(X=Cl,Br,I) perovskites, The Journal of Physical Chemistry C 125, 19142– 19155 (2021).

209.

H. A. B. Fonseca, L. G. Verga, J. L. F. Da SilvaAb initio study of CO2 activation on pristine and Fe-decorated WS2 nanoflakes, The Journal of Physical Chemistry A 125, 7769–7777 (2021).

208.

A. F. B. Bittencourt, P. C. D. Mendes, G. P. Valença, and J. L. F. Da Silva. Acid-baseproperties of hydroxyapatite (0001) by the adsorption of probe molecules:  An ab initio investigation, Physical Review Materials 5, 075003 (2021).

207.

F. O. Morais, K. F. Andriani, and J. L. F. Da Silva, Investigation of the stabilitymechanisms of 8-atom binary metal clusters using DFT calculations and k-meansclustering algorithm, Journal of Chemical Information and Modeling 61, 3411-3420 (2021).

206.

R. M. de Souza, T. C. Lourenço, L. J. A. Siqueira, M. Karttunen, J. L. F. Da Silva, and L. G. Dias. Development of coarse-grained force field to investigate sodium-ion transport mechanisms in cyanoborate-based ionic liquid, Journal of Molecular Liquids 338, 116648 (2021).

205.

L. P. M. Freitas, A. A. E. Santo, T. C. Lourenco, J. L. F. Da Silva and G. T. Feliciano. Steric and electrostatic effects on the diffusion of CH4/CH3OH in copper-exchanged zeolites: insights from enhanced sampling molecular dynamics and free energy calculations, Langmuir 37, 26, 8014–8023 (2021).

204.

K. E. A. Batista, M. D. Soares, M. G. Quiles, M. J. Piotrowski and J. L. F. Da Silva. Energy decomposition to access the stability changes induced by CO adsorption on transition-metal 13-atom clusters, Journal of Chemical Information and Modeling 5, 2294-2301 (2021).

203.

T. C. Lourenço, L. G. Dias and J. L. F. Da Silva. Theoretical investigation of the Na+ transport mechanism and electrolyte performance in ionic liquids sodium-ion electrolytes, ACS Applied Energy Materials 4, 4444-4458 (2021).

202.

A. C. Dias, H. Bragança, J. P. A. de Mendonça and J. L. F. Da Silva. Excitonic effects on two-dimensional transition-metal dichalcogenide monolayers: the impact on the solar cell efficiency, ACS Applied Energy Materials 4, 3265-3278 (2021).

201.

B. Mounssef Jr., S. F. A. Morais, A. P. L. Batista, L. W. de Lima and A. A. C. Braga. DFT study of H2 adsorption at Cu−SSZ−13 zeolite: a cluster approach, Physical Chemistry Chemical Physics 23, 9980-9990 (2021).

200.

P. Felício-Sousa, K. F. Andriani and J. L. F. Da Silva. Ab initio investigation of the role of the d-states occupation on the adsorption properties of H2, CO, CH4 and CH3OH on the Fe13, Co13, Ni13 and Cu13 clusters, Physical Chemistry Chemical Physics 23, 8739-8751 (2021).

199.

J. F. R. V. Silveira, R. Besse and J. L. F. Da Silva. Stacking order effects on the electronic and optical properties of graphene/transition metal dichalcogenide Van der Waals heterostructures, ACS Applied Electronic Materials 3, 1671-1680 (2021).

198.

J. Mucelini, M. G. Quiles, R. C. Prati and J. L. F. Da Silva. A correlation-based framework for insights extraction from quantum chemistry databases: the nanoclusters examples, Journal of Chemical Information and Modeling 61, 1125-1135 (2021).

197.

L. G. Verga, P. C. D. Mendes, V. K. Ocampo-Restrepo and J. L. F. Da Silva. The role of site coordination on the CO2 electro-reduction pathway on stepped and defected copper surfaces, Catalysis Science and Technology 11, 2270-2781 (2021).

196.

M. S. Ozório, S. Malladi, R. Besse and J. L. F. Da Silva. The role of A-cations in the polymorphic stability and optoelectronic properties of ASnI3 perovskites, Physical Chemistry Chemical Physics 23, 2286-2297 (2021).

195.

P. C. D. Mendes, L. G. Verga and J. L. F. Da Silva. Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2, Physical Chemistry Chemical Physics 23, 6029-6041 (2021).

194.

A. B. Almeida, S. V. Buldyrev, A. M. Alencar and N. Giovambattista. How small is too small for the capillarity theory?, Journal of Physics Chemistry 125, 5335-5348 (2021).

193.

M. P. Lima, R. Besse and J. L. F. Da Silva. Ab initio investigation of topological phase transitions induced by pressure in trilayer van der Waals structures: the example of h-BN/SnTe/h-BN, Journal of Physics: Condensed Matter 33, 025003 (2021).

192.

N. A. M. S. Caturello, R. Besse, J. F. R. V. Silveira, M. P. Lima and J. L. F. Da Silva. First-principles insights into the role of edges in the binding mechanisms of Au4 clusters on MoSe2 nanofiakes, Physica E: Low-dimensional Systems and Nanostructures 126, 114472 (2021).

2020
191.

M. Srikanth, M. S. Ozório, and Juarez L. F. Da Silva. Optical and dielectric properties of lead perovskite and iodoplumbate complexes: an ab initio study, Physical Chemistry Chemical Physics 22, 18423-18434 (2020).

190.

M. S. Ozório, W. X. C. Oliveira, J. F. R. V. Silveira, A. F. Nogueira and J. L. F. Da Silva. Novel zero-dimensional lead-free bismuth based perovskites: from synthesis to structural and optoelectronic characterization, Materials Advances 1, 3439-3448 (2020).

189.

G. A. Pinheiro, J. Mucelini,  M. D. Soares,  R. C. Prati,  J. L. F. Da Silva and M. G. Quiles. Machine learning prediction of nine molecular properties based on the SMILES representation of the QM9 quantum-chemistry dataset, Journal of Physical Chemistry A 124, 9854–9866 (2020).

188.

N. A. M. S. Caturello, J. F. R. V. Silveira and J. L. F. Da Silva. Ab initio insights into the stabilization and binding mechanisms of MoS2 nanofiakes supported on graphene, Physical Chemistry Chemical Physics 22, 26865-26875 (2020).

187.

A. M. Sampaio, G. F. L. Pereira, M. Salanne and L. J. A. Siqueira. Comparing the performance of sulfonium and phosphonium ionic liquids as electrolytes for supercapacitors by molecular dynamics simulations, Electrochimica Acta 364, 137181 (2020).

186.

T. C. Lourenço, M. Ebadi, D. Brandell, J. L. F. Da Silva and L. T. Costa. Interfacial structures in ionic liquid based ternary electrolytes for lithium-metal batteries: a molecular dynamics study, Journal of Physical Chemistry B 124, 9648-9657 (2020).

185.

A. C. R. Gomes, T. M. de Souza, J. L. F. Da Silva and B. R. L. Galvão. An ab initio investigation of the adsorption properties of water on binary AlSi clusters, Physical Chemistry Chemical Physics 22, 24669-24676 (2020).

184.
183.

R. Costa-Amaral, A. Forhat, N. A. M. S. Caturello and J. L. F. Da Silva. Unveiling the nature of 3d, 4d, and 5d transition-metal adatoms interaction on MoS2(0001) monolayer: a DFT-D3 investigation, Surface Science 701, 121700 (2020).

182.

A. P. L. Batista, A. G. S. de Oliveira-Filho and A. A. C. Braga. Probing N-heterocyclic olefin as ancillary ligand in scandium-mediated CO2 to CO conversion, Theoretical Chemistry Accounts 139 (2020).

181.

G. A. Pinheiro, J. L. F. Da Silva, M. D. Soares and M. G. Quiles. A graph-based clustering analysis of the QM9 dataset via SMILES descriptors, Proceedings of the 20th International Conference on Computational Science and its Applications ICCSA, 2020, Cagliari. Lecture Notes in Computer Science LNCS. New York: Springer, 2020, V. 12249, 421-433 (2020).

180.

L. Cabral, V. Lopez-Richard, J. L. F. Da Silva, G. E. Marques, M. P. Lima, Y. J. Onofre, M. D. Teodoro and M. P. F. de Godoy. Insights into the nature of optically active defects of ZnO, Journal of Luminescence 227, 117536 (2020).

179.

J. F. R. V. Silveira and J. L. F. Da Silva. Mixed halide lead-free double perovskite alloys for band gap engineering, ACS Applied Materials Energy 3, 7364-7371 (2020).

178.

R. C. Bezerra, P. C. D. Mendes, R. R. Passos and J. L. F. Da Silva. Ab initio investigation of the role of transition-metal dopants in the adsorption properties of ethylene glycol on doped Pt(100) surfaces, Physical Chemistry Chemical Physics 22, 17646-17658 (2020).

177.

H. M. Cezar, S. Canuto and K. Coutinho. DICE: a monte Carlo code for molecular simulation including the configurational bias monte Carlo Method, Journal of Chemical Information and Modeling 60, 3472-3488 (2020).

176.
175.

E. D. Vicentini, A. P. L. Batista and A. G. S. Oliveira-Filho. Computational mechanistic investigation of the Fe CO2 → FeO CO reaction, Physical Chemistry Chemical Physics 22, 16943-16948 (2020).

174.

M. Schütz, M. Muhra, K. Freitag, C. Gemel, S. Kahlal, J.-Y. Saillard, A. C. H. Da Silva, J. L. F. Da Silva, T. F. Fässler and R. A. Fischer. Contrasting structure and bonding of a copper rich and a zinc rich intermetallic Cu/Zn cluster, Inorganic Chemistry 59, 9077-9085 (2020).

173.

K. F. Andriani, J. Mucelini and J. L. F. Da Silva. Methane dehydrogenation on 3d 13-atoms transition-metal clusters – a DFT investigation, Fuels 275, 117790 (2020).

172.

M. S. Ozório, K. F. Andriani and J. L. F. Da Silva. A hybrid-DFT investigation of Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO2)6 cluster, Physical Chemistry Chemical Physics 22, 14099-14108 (2020).

171.

P. C. D. Mendes, V. K. Ocampo-Restrepo and J. L. F. Da Silva. Ab initio investigation of quantum size effects on the adsorption of CO2, CO, H2O, and H2 on transition-metal particles, Physical Chemistry Chemical Physics 22, 8998-9008 (2020).

170.

L. Zibordi-Besse, L. G. Verga, V. K. Ocampo-Restrepo and J. L. F. Da Silva. Ab initio investigation of the formation mechanism of nano-interfaces between 3d-late transition- metals and ZrO2 nanoclusters, Physical Chemistry Chemical Physics 22, 8067-8076 (2020).

169.

H. M. Cezar, S. Canuto and K. Coutinho. Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities, Journal of Molecular Liquids 307, 112924 (2020).

168.

D. A. C. da Silva, A. J. P. Neto, A. M. Pascon, E. E. Fileti, L. R. C. Fonseca and H. G. Zanin. Exploring doping or vacancy-modified graphene-based electrodes for applications in asymmetric supercapacitors, Physical Chemistry Chemical Physics 22, 3906–3913 (2020).

167.

P. C. D. Mendes, S. G. Justo, J. Mucelini, M. D. Soares, K. E. A. Batista, M. G. Quiles, M. J. Piotrowski and J. L. F. Da Silva. Ab initio insights into the formation mechanisms of 55-atom Pt-based core-shell nanoalloys, Journal of Physical Chemistry C 124, 1158– 1164 (2020).

166.

R. M. de Souza, L. J. A. de Siqueira, M. Karttunena and L. G. Dias. Molecular dynamics simulations of polymer-ionic liquid (1-ethyl-3-methylimidazolium tetracyanoborate) ternary electrolyte for sodium and potassium ion batteries, Journal of Chemical Information and Modeling 60, 485–499 (2020).

165.

K. E. A. Batista, V. K. Ocampo-Restrepo, M. D. Soares, M. G. Quiles, M. J. Piotrowski and J. L. F. Da Silva. Ab initio investigation of CO2 adsorption on 13-atom 4d clusters,  Journal of Chemical Information and Modeling 60, 537–545 (2020).

164.

M. S. Ozório, A. C. H. Da Silva and J. L. F. Da Silva. A hybrid density functional theory  investigation of the (CeO2)6 clusters in the cationic, neutral, and anionic states, Journal of Clusters Science, 31 1213-1220 (2020).

163.

A. S. Ramos, M. C. L. Santos, C. M. Godoi, L. C. de Queiroz, J. Nandenha, E. H. Fontes, W. R. Brito, M. B. Machado, A. O. Neto, R. F. B. de Souza. High CO tolerance of Pt nanoparticles synthesized by sodium borohydride in a time-domain NMR spectrometer, International Journal Of Hydrogen Energy 45, 22973-22978 (2020).

162.

B. R. Matos, C. A. Goulart, B. Tosco, J. S. da Silva, R. A. Isidoro, E. I. Santiago, M. Linardi, U. Schade, L. Puskar, F. C. Fonseca, A. C. Tavares. Properties and DEFC tests of Nafion – Functionalized titanate nanotubes composite membranes prepared by melt-extrusion, Journal of Membrane Science 604, 1-7 (2020).

161.

J. S. da Silva, S. G. M. Carvalho, R. P. da Silva, A. C. Tavares, U. Schade, L. Puskar, F. C. Fonseca, B. R. Matos. SAXS signature of the lamellar ordering of ionic domains of perfluorinated sulfonic-acid ionomers by electric and magnetic field-assisted castingRoyal Society Of Chemistry 22, 13764-13779 (2020).

160.

J. Nandenha, Y. Yamashita, F. M. Souza, E. H. Fontes, B. L. Batista, M. C. Santos, M. Linardi, A. O. Neto. Methane activation on PdMn/C-ITO electrocatalysts using a reactor type PEMFC, Research on Chemical Intermediates 46, 4382-4402 (2020).

159.

V. B. Tinti, D. Marani, A. S. Ferlauto, F. C. Fonseca, V. Esposito and D. Z. de Florio. Exsolution of nickel nanoparticles from mixed-valence metal oxides: a quantitative evaluation by magnetic measurementsParticle & Particle Systems Characterization 37, 1-7 (2020).

158.

V. F. de Camargo, E. H. Fontes, J. Nandenha, R. F. B. de Souza and A. O. Neto. High activity of Pt-Rh supported on C-ITO for ethanol oxidation in alkaline mediumResearch on Chemical Intermediates 46, 1555-1570 (2020).

157.

F. M. Souza, R. F. B. de Souza, B. L. Batista, M. C. dos Santos, F. C. Fonseca, A. O. Neto and J. Nandenha. Methane activation at low temperature in an acidic electrolyte using PdAu/C, PdCu/C, and PdTiO2/C electrocatalysts for PEMFCResearch on Chemical Intermediates 46, 2481–2496 (2020).

156.

S. G. M. Carvalho, E. N. S. Muccillo, F. M. B. Marques and R. Muccillo. Electric field-assisted sintering (gadolinia-doped ceria/alkali salts) composite membranesMaterialia 11, 100679 (2020).

155.

M. C. L. Santos, C. M. Godoi, H. S. Kang, R. F. B. de Souza, A. S. Ramos, E. Antolini and A. O. Neto. Effect of Ni content in PdNi/C anode catalysts on power and methanol co-generation in alkaline direct methane fuel cell typeJournal of Colloid and Interface Science 578, 390-401 (2020).

154.

L. M. S. Garcia, S. Rajak, K. Chai, C. M. Godoy, A. J. Silva, P. V. R. Gomes, E. A. Sanches, A. S. Ramos, R. F. B. De Souza, A. Duong and A. O. Neto. Conversion of methane into methanol using the [6,6′-(2,2′-Bipyridine-6,6′-Diyl) bis(1,3,5-Triazine-2,4-Diamine)] (Nitrato-O) Copper (II) complex in a solid electrolyte reactor fuel cell typeAmerican Chemical Society – Omega 5, 16003-16009 (2020).

153.

A. S. Ramos, M. C. L. Santos, C. M. Godoi, A. O. Neto and R. F. B. de SouzaObtaining C2 and C3 products from methane using Pd/C as anode in a solid fuel cell-type electrolyte reactor, ChemCatChem 12, 4517-4521 (2020).

152.

C. S. L. Alencar, A. R. N. Paiva, J. C. M. da Silva, J. M. Vaz and E. V. Spinacé. One-step synthesis of AuCu/TiO2 catalysts for CO preferential oxidationMaterials Research 23, 1-6 (2020).

151.

C. M. Godoi, M. C. L. Santos, A. J. Silva, T. L. Tagomori, A. S. Ramos, R. F. B. de Souza and A. O. Neto. Methane conversion to higher value‑added product and energy co‑generation using anodes OF PdCu/C in a solid electrolyte reactor: alkaline fuel cell type monitored by differential mass spectroscopyResearch on Chemical Intermediates 47, 743–757 (2020).

150.

E. H. Fontes, C. E. D. Ramos, C. A. Ottoni, R. F. B. de Souza, E. Antolini and A. O. Neto. Glycerol dehydrogenation steps on Au/C surface in alkaline medium: An in-situ ATR-FTIR approachRenewable Energy 167, 954-959 (2020).

149.

W. G. Nunes, R. Vicentini, B. G. A. Freitas, F. E. R. Oliveira, A. M.P. Marque, R. Maciel Filho, G. Doubek, L. M. Da Silva and H. Zanin. Pseudo-capacitive behavior of multi-walled carbon nanotubes decorated with nickel and manganese (hydr) oxides nanoparticles, Journal of Energy Storage 31, 101583 (2020).

148.

W. G. Nunes, B. G. A. Freitas, R. M. Beraldo, R. Maciel Filho, L. M. Da Silva and H. Zanin. A rational experimental approach to identify correctly the working voltage window of aqueous-based supercapacitorsNature Scientific Reports 10,  19195 (2020).

147.

L. M. Da Silva, R. Cesar, C. M. R. Moreira, J. H. M. Santos, L. G. De Souza, B. M. Pires, R. Vicentini, W. Nunes and H. ZaninReviewing the fundamentals of supercapacitors and the difficulties involving the analysis of the electrochemical findings obtained for porous electrode materialsEnergy Storage Materials 27, 555-590 (2020).

146.

J. Fiates, Y. Zhang, L. F. M. Franco, E. J. Maginn and G. DoubekImpact of anion shape on Li+solvation and on transport properties for lithium–air batteries: a molecular dynamics studyPhysical Chemistry Chemical Physics 22, 15842-15852 (2020).

145.

W. G. Nunes, B. M. Pires, F. E. R. De Oliveira, A. M. P. De Marque, L. F. Cremasco, R. Vicentini, G. Doubek, L. M. da Silva and  H. Zanin. Study of the aging process of nanostructured porous carbon-based electrodes in electrochemical capacitors filled with aqueous or organic electrolytesJournal of Energy Storage 28, 101249 (2020).

144.

D. A. C. da Silva, A. J. P. Neto, A. M. Pascon, E. E. Fileti, L. R. C. Fonseca and H. ZaninExploring doped or vacancy-modified graphene-based electrodes for applications in asymmetric supercapacitorsPhysical Chemistry Chemical Physics 22, 3906-3913 (2020).

143.

V. S. Carvalho, A. N. Miranda, W. G. Nunes, L. H. Costa, A. M. Pascon, C. B. Rodella, H. Zanin and G. Doubek. Radially ordered carbon nanotubes performance for Li-O2 batteries: pre-treatment influence on capacity and discharge productsCatalysis Today 348, 299-306 (2020).

142.

M. A. S. Andrade Junior, H. L. S. Santos, M. S. Araújo, A. C. Salomão and L.H Mascaro. Solution-processed chalcogenide photovoltaic thin films, Chapter IntechOpen (2020).

141.

M. S. Ozório, W. X. C. Oliveira, J. F. R. V. Silveira, A. F. Nogueira and J. L. F. Da Silva. Novel zero-dimensional lead-free bismuth based perovskites: from synthesis to structural and optoelectronic characterization, Materials Advances 1, 3439 (2020).

140.

R. F. Moral, J. C. Germino, L. G. Bonato, D. B. Almeida, E. M. Therezio, T. D. Z. Atvars, S. D. Stranks, R. A. Nome, A. F. Nogueira. Influence of the Vibrational Modes from the Organic Moieties in 2D Lead Halides on Excitonic Recombination and Phase Transition, Advanced Optical Materials 8, (24) 2001431 (2020).

139.

C. da S. Rodrigues, C. G. P. dos Santos, R. C. C. de Miranda, E. Parma, H. Varela and R. Nagao. A numerical investigation of the effect of external resistance and applied potential on the distribution of periodicity and chaos in the anodic dissolution of nickel, Physical Chemistry Chemical Physics 22, 21823–21834, (2020).

138.

R. C. Mori, R. Nagao. Da ordem ao caos: uma reorientação das ciências e da químicaQuímica Nova na escola (impresso) 42, 337-343 (2020).

137.

A. P. Gerola, E. H. Wanderlind, M. Idrees, P. Sangaletti, L. Zaramello, R. A. Nome, G. T. M. Silva, F. H. Quina, M. Tachiya, F. Nome and H. D. Fiedler. Anion binding to surfactant aggregates: AuCl4 in cationic, anionic and zwitterionic micellesJournal of Molecular Liquids 314, 113607(2020).

136.

O. Granas, A. Mocellin, E. S. Cardoso, F. Burmeister, C. Caleman, O. Björneholm and A. N. De Brito. Femtosecond fragmentation of CS2 after sulfur 1s ionization: interplay between Auger cascade decay, charge delocalization, and nuclear motionJournal of Physics B: Atomic, Molecular and Optical Physics 53244007 (2020).

135.

A. Calderón-Cárdenas, E. A. Paredes-Salazar, C. A. Mujica-Martinez, R. Nagao and H. Varela. Thorough analysis of the effect of temperature on the electro-oxidation of formic acidThe Journal of Physical Chemistry C12424259–24270 (2020).

134.

A. Tofanello, S. Shen, F. L. Souza, L. Vayssieres. Strategies to improve the photoelctrochemical performance of hematite nanorod-based photoanodes, APL Materials 8, 040905 (2020).

133.

J. M. Fonseca, L. Spessato, A. L. Cazetta, K. C. Bedin, S. A. R. Melo, F. L. Souza, V. C. Almeida. Optimization of sulfonation process for the development of carbon-based catalyst from crambe meal via response surface methodologyEnergy Conversion and Management 217, 112975 (2020).

132.

J. O. D. Malafatti, A. J. Moreira, C. R. Sciena, T. E. M. Silva, G. P. G. Freschi, E. C. Pereira, E. C. Paris. Prozac® removal promoted by HAP:Nb2O5 nanoparticles system: by-products, mechanism, and cytotoxicity assessmentJournal of Environmental Chemical Engineering 9, 104820 (2020).

131.
130.

P. O. Anate, M. E. G. Posse, M. M. Vergara, F. Fagalde, J. H. M. Ortiz, F. E. M. Vieyra, C. D. Borsarelli, C. Longo, N. E. Katz. Spectroscopic, electrochemical and photophysical properties of the novel complex tetracyano-1,10-phenanthroline-5,6-dione-ruthenate(II) and its application as a sensitizer in solar cells, Inorganica Chimica Acta 512, 119903  (2020).

129.

M. V. Khenkin, E. A. Katz, A. Abate, G. Bardizza, J. J. Berry, C. Brabec, F. Brunetti, V. Bulović, Q. Burlingame, A. Di Carlo, R. Cheacharoen, Y. B. Cheng, A. Colsmann, S. Cros, K. Domanski, M. Dusza, C. J. Fell, S. R. Forrest, Y. Galagan, D. Di Girolamo, M. Gratzel, A. Hagfeldt, E. von Hauff, H. Hoppe, J. Kettle, H. Kobler, M. S. Leite, S. (Frank) Liu, Y. L. Loo, J. M. Luther, C. Q. Ma, M. Madsen, M. Manceau, M. Matheron, M. McGehee, R. Meitzner, M. K. Nazeeruddin, A. F. Nogueira, Ç. Odabasi, A. Osherov, N. G. Park, M. O. Reese, F. De Rossi, M.Saliba, U. S. Schubert, H. J. Snaith, S. D. Stranks, E. Tress, P. A. Troshin, V. Turkovic, S. Veenstra, I. Visoly-Fisher, A. Walsh, T. Watson, H. Xie, R. Yildirim, S. M. Zakeeruddin, K. Zhu, M. Lira-Cantu. Consensus statement for stability assessment and reporting for perovskite photovoltaics based on ISOS proceduresNature Energy 5, 35-49 (2020).

128.

D. N. F. Muche, S. A. Carminati, A. F. Nogueira, F. L. Souza. Engineering interfacial modification on nanocrystalline hematite photoanodes: A close look into the efficiency parametersSolar Energy Materials and Solar Cells 208, 110377 (2020).

127.

T. T. A. Lucas, M. A. Melo Jr, A. L. M. Freitas, F. L. Souza, R. V. Gonçalves. Enhancing the solar water splitting activity of TiO2 nanotube-array photoanode by surface coating with La-doped SrTiO3, Solar Energy Materials and Solar Cells 208, 110428 (2020).

126.

M. R. Pinto, G. F. Costa, E. G. Machado, R. Nagao. Self-organization in electrochemical synthesis as a methodology towards New materialsChemElectroChem 7, 2979-3005 (2020).

125.

J. C. Germino, R. Szostak, S. G. Motti, R. F. Moral, P. E. Marchezi, H. S. Seleghini, L. G. Bonato, F. L. de Araujo, T. D. Z. Atvars, L. M. Herz, D. Fenning, A. Hagfeldt and A. F. Nogueira. Postpassivation of multication perovskite with rubidium butyrateACS Photonics 8, 2282–2291 (2020).

124.

J. L. Bott-Neto, M. V. F. Rodrigues, M. C. Silva, E. B. Carneiro-Neto, G. Wosiak, J. C. Mauricio, E. C. Pereira, S. J. A. Figueroa, P. S. Fernández. Versatile spectroelectrochemical cell for in situ experiments, development, applications and electrochemical behaviorChemElectroChem 7, 4306-4313 (2020).

123.

C. C. Lima, M. V. F. Rodrigues, A. F. M. Neto, C. R. Zanata, C. T. G. V. M. T. Pires, L. S. Costa, J. Solla-Gullón and P. S. Fernández. Highly active Ag/C nanoparticles containing ultra-low quantities of sub-surface Pt for the electrooxidation of glycerol in alkaline mediaApplied Catalysis B: Environmental 279, 119369 (2020).

122.

R. R. Guimaraes, J. M. Gonçalves, O. Björneholm, C. M. Araujo, A. N. de Brito and K. Araki. Single-atom electrocatalysts for water splittingMethods for Electrocatalysis, 67-111 (2020).

121.

G. Soffiati, J. L. Bott-Neto, V. Y. Yukuhiro, C. T. C. T. G. V. M. T. Pires, C. C. Lima, C. R. Zanata, Y. Y. Birdja, M. T. M. Koper, M. A. San-Miguel, P. S. Fernández. Electrooxidation of C4 polyols on platinum single-crystals: A computational and electrochemical study, The Journal of Physical Chemistry C 27, 14745-14751 (2020).

120.

M. R. Pinto, G. B. Pereira, A. C. Queiroz and R. Nagao. Influence of the ligands in Cu(II) complexes on the oscillatory electrodeposition of Cu/Cu2OThe Journal of Physical Chemistry C 23, 12559–12568 (2020).

119.

R. A. Vicente, G. H. Oliveira, P. S. Fernández, R. A. Nome. Low-frequency stimulated Raman spectroscopy measurements at electrochemical interfacesProceedings SPIE Optical Engineering + Applications 11497, online (2020).

118.

M. A. Melo Jr, H. A. Centurion, T. T. A. Lucas, D. N. F. Muche, F. L. Souza and R. V. Goncalves. Pseudobrookite Fe2TiO5 nanoparticles loaded with earth-abundant – nanosized NiO and Co3O4 cocatalysts for photocatalytic O2 evolution via solar water splittingACS Applied Nano Materials 9, 9303-9317 (2020).

117.

M. B. Costa, F. W. S. Lucas and L. H. Mascaro. Improvement of electrodeposited Sb2Se3 thin film photoelectroactivity by cobalt grain boundary modificationJournal of Materials Chemistry A 8, 13742-13753 (2020).

116.

S. A. Carminati, B. L. Silva, J. L. Bott-Neto, M. A. Melo, M. T. Galante, P. F. Fernández, C. Longo, J. A. Bonacin and A. F. Nogueira. Hematite nanorods photoanodes decorated by cobalt hexacyanoferrate: The role of mixed oxidized states on the enhancement of photoelectrochemical performanceACS Applied Energy Materials 10, 10097-10107 (2020).

115.

M. B. C. de Souza, V. Y. Yukuhiro, R. A. Vicente, C. T. G. V. M. T. Pires, J. L. Bott-Neto and P. S. Fernández. Pb- and Bi-modified Pt electrodes toward glycerol electrooxidation in alcaline media. Activity, selectivity, and the importante of Pt atoms arrangementACS Catalysis 3, 2131-2137 (2020).

114.

K. C. Bedin, A. L. M. Freitas, A. Tofanello, I. Rodríguez-Gutiérrez, F. L. Souza. Revealing the synergy of Sn insertion in hematite for next-generation solar water splitting nanoceramicsInternational Journal of Ceramic Engineering & Science 2, 204-227 (2020).

113.
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111.

R. E. Beal, N. Z. Hagström, J. Barrier, A. Gold-Parker, R. Prasanna, K. A. Bush, D. Passarello, L. T. Schelhas, K. Brüning, C. J. Tassone, H-G. Steinrück, M. D. McGehee, M. F. Toney, A. F. Nogueira. Structural origins of light-induced phase segregation in organic-inorganic halide perovskite photovoltaic materialMatter 2, 207-219 (2020).

110.

G. Wosiak, D. Coelho, E. B. Carneiro-Neto, E. C. Pereira and M. C. Lopes. Numerical resolving of net faradaic current in fast-scan cyclic voltammetry considering induced charging currentsAnalytical Chemistry 92, 15412-15419 (2020).

109.

A. J. Moreira, J. O. D. Malafatti, T. R. Giraldi, E. C. Paris, E. C. Pereira, V. R. de Mendonça, V. R. Mastelaro, G. P. G. Freschi. Prozac® photodegradation mediated by Mn-doped TiO2 nanoparticles: Evaluation of by-products and mechanisms proposalJournal of Environmental Chemical Engineering, 8, 104543 (2020).

108.

K. N. da Silva, R. Nagao, E. Sitta. Oscillatory ethylene glycol electrooxidation reaction on Pt in alkaline media: The effect of surface orientationElectrochimica Acta 360, 136986 (2020).

107.

M. T. Galante, P. V. B. Santiago, V. Y. Yukuhiro, L. A. da Silva, N. A. dos Reis, C. T. G. V. M. T. Pires, N. G. Macedo, L. S. Costa, P. S. Fernández, C. Longo. Aminopolysiloxane as Cu2O photocathode overlayer: photocorrosion inhibitor and low overpotential CO2‐to‐formate selectivity promoter, ChemCatChem 12, 859-863 (2020).

106.

H. L. S. Santos, P. G. Corradini, M. Medina, L. H. Mascaro. Effect of copper addition on cobalt-molybdenum electrodeposited coatings for the hydrogen evolution reaction in alkaline médiumInternational Journal of Hydrogen Energy 45, 33586-33597 (2020).

105.

O. Almora, D. Baran, G. C. Bazan, C. Berger, C. I. Cabrera, K. R. Catchpole, S. Erten-Ela, F. Guo, J. Hauch, A. W. Y. Ho-Baillie, T. J. Jacobsson, R. A. J. Janssen, T. Kirchartz, N. Kopidakis, Y. Li, M. A. Loi, R. R. Lunt, X. Mathew, M. D. McGehee, J. Min, D. B. Mitzi, M. K. Nazeeruddin, J. Nelson, A. F. Nogueira, U. W. Paetzold, N-G. Park, B. P. Rand, U. Rau, H. J. Snaith, E. Unger, L. Vaillant-Roca, H-L. Yip and C. J. Brabec. Device performance of emerging photovoltaic materials (Version 1)Advanced Energy Materials 11, 2002774 (2020).

104.

C. D. Silva, P. G. Corradini, V. D. Colle, L. H. Mascaro, F. H. B. Lima, E. C. Pereira. Pt/Rh/Pt and Pt/Ru/Pt multilayers for the electrochemical oxidation of methanol and etanolElectrochimica Acta 354, 136674 (2020).

103.

R. Szostak, S. Sanchez, P. E. Marchezi, A. S. Marques, J. C. Silva, M. S. Holanda, A. Hagfeldt, H. C. N. Tolentino, A. F. Nogueira. Revealing the perovskite film formation using the gas quenching method by in situ GIWAXS: Morphology, properties, and device performanceAdvanced Functional Materials 31, 2007473 (2020).

102.

M. B. Costa, M. Medina, M. A. S. Andrade Jr, D. Coelho, L. H. Mascaro. Chapter 1 – Transition metal chalcogenides for photoelectrochemical water splitting, photoelectrochemical water splittingMaterials Research Foundations 70, 1-42 (2020).

101.

K. C. Bedin, D. N. F. Muche, M. A. Melo Jr, A. L. M. Freitas, R. V. Gonçalves, F. L. Souza. Role of cocatalysts on hematite photoanodes for photoelectrocatalytic water splitting: Challenges and future perspectivesChemCatChem 12, 3156-3169 (2020).

100.

P. E. Marchezi, E. M. Therézio, R. Szostak, H. C. Loureiro, K. Brüning, A. Gold-Parker, M. A. Melo Jr, C. J. Tassone, H. C. N. Tolentino, M. F. Toney, A. F. Nogueira. Degradation mechanisms in mixed-cation and mixed-halide CsxFA1-xPb (BryI1-y)3 perovskite films under ambient conditions, Journal of Materials Chemistry A 8, 1-12 (2020).

99.

L. G. Bonato, R. F. Moral, G. Nagamine, A. Aló, J. C. Germino, D. S. Silva, D. B. Almeida, L. F. Zagonel, F. Galembeck, L. A. Padilha Jr., A. F. Nogueira. Revealing the role of tin(IV) halides in the anisotropic growth of CsPbX3 perovskite nanoplatesA Journal of the German Chemical Society 59, 2-11 (2020).

98.

A. A. Sutanto, R. Szostak, N. Drigo, V. I. E. Queloz, P. E. Marchezi, J. C. Germino, H. C. N. Tolentino, M. K. Nazeeruddin, A. F. Nogueira and G. Grancini. In situ analysis reveals the role of 2D perovskite in preventing thermal-induced degradation in 2D/3D perovskite interfacesNano Letters 5, 3992-3998 (2020).

97.

J. A. Dias, M. A. S. Andrade Jr, H. L. S. Santos, M. R. Morelli and L. H. Mascaro. Lanthanum-based perovskites for catalytic oxygen evolution reactionChemElectroChem 7, 1-21 (2020).

96.

M. A. de Araújo and L. H. Mascaro. Plasma treatment to improve the photoelectroactivity of Sb2S3 thin films in water splittingChemElectroChem 7, 1-6 (2020).

95.

D. Coelho, J. P. R. S. Gaudêncio, S. A. Carminati, F. W. P. Ribeiro, A. F. Nogueira, L. H. Mascaro. Bi electrodeposition on WO3 photoanode to improve the photoactivity of the WO3/BiVO4 heterostructure to water splitting, Chemical Engineering Journal 399, 125836 (2020).

94.

A. F. Nogueira. Shades of transparencyNature Energy 5, 428-429 (2020).

93.

J. C. Silva, F. L. Araujo, R. Szostak, P. E. Marchezi, R. F. Moral, J. N. Freitas, A. F. Nogueira. Effect of the incorporation of poly(ethylene oxide)copolymer on the stability of perovskite solar cellsJournal Materials Chemistry C 8, 9697-9706 (2020).

92.

H. L. S. Santos, P. Corradini, M. Medina, J. A. Dias and L. H. Mascaro. NiMo-NiCu Inexpensive composite with high activity for hydrogen evolution reactionACS Applied Materials & Interfaces 12, 17492-17501 (2020).

91.

M. A. de Araújo, F. W. S. Lucas, L. H. Mascaro. Effect of the electrodeposition potential on the photoelectroactivity of the SnS/Sb2S3 thin filmsJournal of Solid State Electrochemistry 24, 389-399 (2020).

90.

H. L. S. Santos, P. G. Corradini, M. A. S. Andrade Jr, L. H. Mascaro. CuO/ NiOx thin film –based photocathodes for photoelectrochemical water splittingJournal of Solid State Electrochemistry 24, 1899-1908 (2020).

2019
89.
88.

A. M. Sampaio, E. E. Fileti and L. J. A. Siqueira. Atomistic study of the physical properties of sulfonium-based ionic liquids as electrolyte for supercapacitors, Journal of Molecular Liquids 296, 112065 (2019).

87.

H. M. Cezar, G. G. Rondina and J. L. F. Da Silva. Thermodynamic properties of 55-atom Pt-based nanoalloys: phase changes and structural effects on the electronic properties, Journal of Chemical Physics, 151, 204301 (2019).

86.

J. L. Silva, I. Unger, T. A. Matias, L. R. Franco, G. Damas, L. T. Costa, K. C. F. Toledo, T. C. R. Rocha, A. N. de Brito, C.-M. Saak, K. Coutinho, K. Araki, O. Björneholm, B. Brena and C. M. Araujo. X-ray photoelectron fingerprints of high-valence rutheniumoxo complexes along the oxidation reaction pathway in an aqueous environment, Journal of Physical Chemistry Letters 10, 7636–7643 (2019).

85.

P. Felício-Sousa, J. Mucelini, L. Zibordi-Besse, K. F. Andriani, Y. Seminovski, R. C. Prati and J. L. F. Da Silva. Ab initio insights into the structural, energetics, electronic, and stability properties of mixed CenZr15-nO30 nanoclusters, Physical Chemistry Chemical Physics 21, 26637–26646, (2019).

84.

V. K. Ocampo-Restrepo, L. Zibordi-Besse and J. L. F. Da Silva. Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: the example of H2, CO, H2O, and CO2, Journal of Chemical Physics 151, 214301 (2019).

83.

L. D. M. Torquato, F. A. C. Pastrianc, J. A. L. Perini, K. Irikura, A. P. L. Batista, A. G. S. de Oliveira-Filho, S. I. C. de Torresi and M. V. B, Zanonia. Relation between the nature of surface facets and the reactivity of Cu2O nanostructures anchored on TiO2NT@PDA electrodes in the photoelectrocatalytic conversion of CO2 to methanol, Applied Catalysis B: Environmental 261, 118221 (2019).

82.

A. J. P. Neto and E. E. Fileti. An atomistic computational physico-chemical description of acetonitrile/tricyanomethanide based electrolytes, Journal of Molecular Liquids 292, 111439 (2019).

81.

A. C. H. Da Silva, N. A. M. S. Caturello, R. Besse, M. P. Lima and J. L. F. Da Silva. Edge, size, and shape effects on WS2, WSe2, and WTe2 nanoflake stability: design principles from an ab initio investigation, Physical Chemistry Chemical Physics 21, 23076–23084 (2019).

80.

E. E. Fileti and G. Colherinhas. Investigating the asymmetry in the EDL response of C60/graphene supercapacitors, Physical Chemistry Chemical Physics 21, 15362–15371 (2019).

79.

G. F. L. Pereira, R. G. Pereira, M. Salanne and L. J. A. Siqueira. Molecular dynamics simulations of ether-modified phosphonium ionic liquid confined in between planar and porous graphene electrode models, Journal of Physical Chemistry C 123, 10816–10825  (2019).

78.

A. P. L. Batista, A. G. S. de Oliveira-Filho and A. C. C. Braga. Unveiling the potential of scandium complexes for methane C−H bond activation: a computational study, New Journal of Chemistry 43, 12257–12263 (2019).

77.

R. L. H. Freire, M. G. Masteghin, J. L. F. Da Silva and M. O. Orlandi. Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment, Computational Material Science 170, 109160 (2019).

76.

P. C. D. Mendes, R. Costa-Amaral, J. F. Gomes and J. L. F. Da Silva. The influence of hydroxy groups on the adsorption of three-carbon alcohols on Ni(111), Pd(111) and Pt(111) surfaces: a density functional theory study within the D3 dispersion correction, Physical Chemistry Chemical Physics 21, 8434-8444 (2019).

75.

C. M. O. Bastos, R. Besse, J. L. F. Da Silva and G. M. Sipahi. Ab initio investigation of structural stability and exfoliation energies in transition metal dichalcogenides based on Ti-, V-, and Mo-group elements, Physical Review Materials 3, 044002 (2019).

74.

K. E. A. Batista, J. L. F. Da Silva and M. J. Piotrowski. Adsorption of CO, NO, and  H2 on the PdnAu55 − n nanoclusters: a density functional theory investigation within the van der Waals D3 corrections, The Journal of Physical Chemistry C 123, 7431–7439 (2019).

73.

D. Guedes-Sobrinho, W. Wang, I. P. Hamilton, J. L. F. Da Silva and L. M. Ghiringhelli. (Meta-)stability and core-shell dynamics of gold nanoclusters at finite temperature, The Journal of Physical Chemistry Letters 10, 685–692 (2019).

72.

L. Cabral, F. H. Aragón, L. Villegas-Lelovsky, M. P. Lima, W. A. A. Macedo and J. L. F. Da Silva. Tuning the magnetic properties of FeCo thin films through the magnetoelastic effect induced by the Au underlayer thickness, ACS Applied Materials & Interfaces 11, 1529–1537 (2019).

71.

M. P. Lima, L. Cabral, E. Margapoti, S. Mahapatra, J. L. F. Da Silva, F. Hartmann, S. Höfling, G. E. Marques and V. Lopez-Richard. Defect-induced magnetism in II-VI quantum dots, Physical Review B 99, 014424 (2019).

70.

M. C. L. Santos, L. C. Nunes, L. M. G. Silva, A. S. Ramos, F. C. Fonseca, R. F. B. de Souza and A. O. NetoDirect alkaline anion exchange membrane fuel cell to converting methane into methanolChemistry Select 4, 11430-11434 (2019).

69.

M. Machado, L. P. R. Moraes, L. N. Rodrigues, T. S. Rodrigues and F. C. FonsecaLowering the sintering temperature of a SOFC by morphology control of the electrolyte powderECS Transactions 91, 1193-1199 (2019).

68.

M. Machado, L. P. R. Moraes, L. N. Rodrigues, M. Tabanez, M. Ferrazoli and F. C. Fonseca. Evaluation of fe-doped CGO electrolyte for application in IT-SOFCs, ECS Transactions 91, 1209-1216 (2019).

67.

J. Nandenha, R. M. Piasentin, L. M. G. Silva, E. H. Fontes, A. O. Neto and R. F. B. de Souza. Partial oxidation of methane and generation of electricity using a PEMFCIonics 25, 5077-5082 (2019).

66.

C. M. S. Queiroz, A. P. Machado, A. R. N. Paiva, R. M. Antoniassi, J. M. Vaz and E. V. Spinacé. Active Pt/CeO2 catalysts prepared by an alcohol‐reduction process for low‐temperature CO‐PROX reactionMaterials for Renewable and Sustainable Energy 8, 1-8 (2019).

65.

V. Esposito, A. Kabir, M. Rosa, N. V. Nong, T. S. Rodrigues, L. N. Rodrigues, M. F. S. Machado, L. P. R. Moraes, D. Marani and F. C. Fonseca. Tuning diffusion paths in shaped ceria nanocrystalsCryst. Eng. Comm. 21, 4025-4029 (2019).

64.

T. Lopes, O. Beruski, A. M. Manthanwar, I. Korkischko, R. Pugliesi, M. A. Stanojev, M. L. G. Andrade, E. N. Pistikopoulos, J. Perez, F. C. Fonseca, J. R. Meneghini and A. R. Kucernak. Spatially resolved oxygen reaction, water, and temperature distribution: Experimental results as a function of flow field and implications for polymer electrolyte fuel cell operationApplied Energy 252, 1-13 (2019).

63.

G. B. Leal, D. C. L. da Silva, B. N. Watacabe, L. Ciotti, R. M. Antoniassi, R. Giudici, M. Linardi, J. M. Vaz and E. V. Spinacé. Au/TiO2 catalysts prepared by borohydride reduction for preferential CO oxidation at near-ambient temperatureCatalysis for Sustainable Energy, 6, 6-12 (2019).

62.

S. L. Reis, S. G. M. Carvalho, E. N. S. Muccillo and R. Muccillo. Electrical behavior of electric field-assisted pressureless sintered ceria-20 mol% samariaCeramics 2, 385-392 (2019).

61.

R. Muccillo and E. N. S. Muccillo. Improved densification and ionic conductivity in flash-sintered gamma-ray irradiated yttria-stabilized zirconiaScripta Materialia 170, 120-123 (2019).

60.

J. Nandenha, I. H. F. Nagahama, J. Y. Yamashita, E. H. Fontes, J. M. S. Ayoub, R. F. B. de Souza, F. C. Fonseca and A. O. Neto. Activation of Methane on PdZn/C Electrocatalysts in an Acidic Electrolyte at Low TemperaturesInternational Journal of Electrochemical Science 14, 10819-10834 (2019).

59.

R. Vicentini, W. G. Nunes, L. H. Costa, L. M. da Silva, A. Pascon, P. Jackson, G. Doubek and H. Zanin. Highly stable nickel-aluminum alloy current collectors and highly defective multi-walled carbon nanotubes active material for neutral aqueous-based electrochemical capacitors, Journal of Energy Storage 23, 116-127 (2019).

58.

W. G. Nunes, L. M. da Silva, R. Vicentini, B. G. A. Freitas, L. H. Costa, A. Pascon and H. Zanin. Nickel oxide nanoparticles supported onto oriented multi-walled carbon nanotube as electrodes for electrochemical capacitors, Electrochimica Acta 298, 468-483 (2019).

57.

J. J. S. Teles, E. R. Faria, J. H. M. Santos, L. G. de Sousa, D. V. Franco, W. G. Nunes, H. Zanin and L. M. da Silva. Supercapacitive properties, anomalous diffusion, and porous behavior of nanostructured mixed metal oxides containing Sn, Ru, and IrElectrochimica Acta 295, 302-315 (2019).

56.

R. Vicentini, L. M. da Silva, E. P. Cecilio Junior, T. A. Alves, W. G. Nunes and H. ZaninHow to measure and calculate equivalent series resistance of electric double-layer capacitorsMolecules 24, 24081452 (2019).

55.

J. Li, G. Doubek, L. M. Brown and A. D. Taylor. Recent Advances in Metallic Glass Nanostructures: Synthesis Strategies and Electrocatalytic ApplicationsAdvanced Materials 31, 1802120 (2019).

54.

R. Vicentini, D. M. Soares, W. Nunes, B. Freitas, L. Costa, L. M. Da Silva and H. ZaninCore-niobium pentoxide carbon-shell nanoparticles decorating multiwalled carbon nanotubes as electrode for electrochemical capacitors, Journal of Power Sources 434, 226737 (2019).

53.

R. Vicentini, W. Nunes, B. G. A. Freitas, L. M. Da Silva, D. M. Soares, R. Cesar, C. B. Rodella and H. Zanin. Niobium pentoxide nanoparticles @ multi-walled carbon nanotubes and activated carbon composite material as electrodes for electrochemical capacitorsEnergy Storage Materials 22, 311-322 (2019).

52.

D. M. Soares, R. Vicentini, A. C. Peterlevitz, C. B. Rodella, L. M. da Silva and H. Zanin. Tungsten oxide and carbide composite synthesized by hot filament chemical deposition as electrodes in aqueous-based electrochemical capacitors, Journal of Energy Storage 26, 100905 (2019).

51.

P. Sotelo, M. Moore, M. T. Galante, C. Longo, K. Rajeshwar, L. Suescun, R. Macalluso. Structure and optical properties of a new AgBiW2O8 polymorph, Polyhedron 170, 486-489 (2019).

50.

C. G. P. Santos, E. G. Machado, I. Z. Kiss, R. Nagao. Investigation of the oscillatory electrodissolution of the nickel-iron alloyThe Journal Physical Chemistry C 123, 24087-24094 (2019).

49.

L. Menezes, E. Parma, E. G. Machado, R. Nagao. Quasiperiodic behavior in the electrodeposition of Cu/Sn multilayers: Extraction of activation energies and wavelet analysisPhysical Chemistry Chemical Physics 21, 21057-21063 (2019).

48.

C. Galuppo, J. Alvarenga, A. C. Queiroz, I. Messias, R. Nagao, C. Abbehausen. The electrosynthesis of gold(I) complexes: A clean, one-pot methodElectrochemistry Communications 110, 106620 (2019).

47.

G. Sivakumar, A. H. Bertoni, H-S. Kim, P. E. Marchezi, D. R. Bernardo, A. Hagfeldt, M. Grätzel, S. M. Zakeeruddin, A. F. Nogueira. Design, synthesis and characterization of 1,8-naphthalimide based fullerene derivative as electron transport material for Inverted perovskite solar cellsSynthetic Metals 249, 25-30 (2019).

46.

A. Liu, L. G. Bonato, F. Sessa, D. B. Almeida, E. Isele, G. Nagamine, F. L. Zagonel, A. F. Nogueira, L. A. Padilha, S. T. Cundiff. Effect of dimensionality on the optical absorption properties of CsPbI3 perovskite nanocrystals, The Journal of Chemical Physics 151, 191103 (2019).

45.

H. L. S. Santos, J. A. Dias, M. A. S. Andrade Jr., L. H. Mascaro. Chapter 1- Transition metal-based electrocatalysts for oxygen-evolution reaction beyond Ni, Co, Fe., Materials Research Forum 59, 1-36 (2019).

44.

V. Y. Suzuki, N. H. de Paula, R. Gonçalves, M. S. Li, E. C. Pereira, E. Longo, F. A. La PortaExploring effects of microwave-assisted thermal annealing on optical properties of Zn2GeO4 nanostructured filmsMaterials Science and Engineering B 2467-12 (2019).

43.

C. D. Silva, P. G. Corradini, L. H. Mascaro, S. Lemos. Using a multiway chemometric tool in the evaluation of metanol electro-oxidation mechanismJournal of Electroanalytical Chemistry 855, 113598 (2019).

42.

M. J. Paulo, R. H. D. Venancio, R. G. Freitas, E. C. Pereira, A. C. Tavares. Investigation of the electrocatalytic activity for ethanol oxidation of Pt nanoparticles modified with small amount (≤5 wt%) of CeO2Journal of Electroanalytical Chemistry 840, 367-375 (2019).

41.

J. Cai, W. Ma, L. Xu, C. Hao, M. Sun, X. Wu, F. M. Colombari, A. F. de Moura, M. C. Silva, E. B. Carneiro-Neto, E. C. Pereira, H. Kuang and C. Xu. Self-assembled gold arrays that allow rectification by nanoscale selectivityA Journal of the German Chemical Society 5817418–17424 (2019).

40.

L. G. da Trindade, G. Y. Hata, J. C. Souza, M. R. S. Soares, E. R. Leite, E. C. Pereira, E. Longo, T. M. Mazzo. Preparation and characterization of hematite nanoparticles-decorated zinc oxide particles (ZnO/Fe2O3) as photoelectrodes for solar cell applicationsJournal of Materials Science 55, 2923-2936 (2019).

39.

J. L. Silva, I. Unger, T. A. Matias, L. R. Franco, G. Damas, L. T. Costa, K. C. F. Toledo, T. C. R. Rocha, A. N. de Brito, C. M. Saak, K. Coutinho, K. Araki, O. Björneholm, B. Brena, M Araujo. X-ray photoelectron fingerprints of high-valence ruthenium−oxo complexes along the oxidation reaction pathway in an aqueous environmentThe Journal of Physical Chemistry Letters 24, 7636–7643 (2019).

38.

G. H. Oliveira, R. A. Nome. Integrating ultrafast and stochastic dynamics studies of Brownian motion in molecular systems and colloidal particlesCurrent Opinion in Colloid & Interface Science 44, 208-219 (2019).

37.

L. A. Goulart, S. A. Alves, L. H. Mascaro. Photoelectrochemical degradation of bisphenol A using Cu doped WO3 electrodesJournal of Electroanalytical Chemistry 839, 123-133 (2019).

36.

S. A. Carminati, A. do N. Barbosa, A. L. M. de Freitas, F. L. Freire, F. L. Souza, A. F. Nogueira. Unraveling the role of single layer graphene as overlayer on hematite photoanodesJournal of Catalysis 372, 109-118 (2019).

35.

M. B. C. de Souza, R. A. Vicente, V. Y. Yukuhiro, C. T. G. Pires, W. Cheuquepán, J. L. Bott-Neto, J. Solla-Gullón, P. S. Fernández. Bi-modified Pt electrodes toward glycerol electrooxidation in alkaline solution: effects on activity and selectivityACS Catalysis 9, 5104-5110 (2019).

34.

M. A. S. Andrade Jr, M. F. Gromboni, L. L. Soares, L. H. Mascaro. Double-pulse electrodeposition of CuGaS2 Photovoltaic Thin FilmChemElectroChem 6, 2998-3001 (2019).

33.

R. Szostak, P. E. Marchezi, A. dos S. Marques, J. C. da Silva, M. S. de Holanda, M. M. Soares, H. C. N. Tolentino, A. F. Nogueira, Exploring the formation of formamidinium-based hybrid perovskites by antisolvent methods, in situ GIWAXS measurements during spin coatingSustainable Energy & Fuels 3, 2287-2297 (2019).

32.

A. S. Marques, R. Szostak, P. E. Marchezi, A. F. Nogueira. Perovskite solar cells based on polyaniline derivatives as hole transport materials, Journal of Physics: Energy 1, 15004 (2019).

31.

M. S. de Holanda, R. Szostak, P. E. Marchezi, L. G. T. A. Duarte, J. C. Germino, T. D. Z. Atvars, A. F. Nogueira. In situ 2D perovskite formation and the impact of the 2D/3D structures on performance and stability of perovskite solar cellsSolar RRL 3, 1900199 (2019).

30.

R. Szostak, J. C. Silva, S. H. Turren-Cruz, M. M. Soares, R. O. Freitas, A. Hagfeldt, H. C. N. Tolentino, A. F. Nogueira. Nanoscale mapping of chemical composition in organic-inorganic hybrid perovskite filmsScience Advances 5, eaaw6619 (2019).

29.

N. F. Coutinho, S. Cucatti, R. B. Merlo, J. M. C. Silva Filho, N. F. B. Villegas, F. Alvarez, A. F. Nogueira, F. C. Marques. The thermomechanical properties of thermally evaporated bismuth triiodide thin filmsScientific reports 9, 1-8 (2019).

28.

V. Carravetta, A. H. de A. Gomes, S. Monti, A. Mocellin, R. R. T. Marinho, O. Björneholm, H. Ågren, A. N. de Brito. pH-dependent X-ray photoelectron chemical shifts and surface distribution of cysteine in aqueous solutionThe Journal of Phisical Chemistry B 123, 3776-3785 (2019).

27.

G. H. Oliveira, M. T. Galante, T. T. Martins, L. F. L. S. dos Santos, F. Ely, C. Longo, R. V. Gonçalves, S. R. Muniz, R. A. Nome. Real time single TiO2 nanoparticle monitoring of the photodegradation of methylene blueSolar Energy 190, 239-245 (2019).

26.

B. T. Kitagaki, M. R. Pinto, A. C. Queiroz, M. C. Breitkreitz, F. Rossi, R. Nagao. Multivariate statistical analysis of chemical and electrochemical oscillators for an accurate frequency selectionPhysical Chemistry Chemical Physics 21, 16423-16434 (2019).

25.

D. N. F. Muche, T. M. G. dos Santos, G. P. Leite, M. A. Melo Jr, R. V. Gonçalves, F. L. Souza. Tailoring hematite/FTO interfaces, New horizons for spin-coated hematite photoanodes targeting water splittingMaterials Letters 254, 218-221 (2019).

24.

R. F. Moral, L. G. Bonato, J. C. Germino, W. X. C. Oliveira, R. Kamat, J. Xu, C. J. Tassone, S. D. Stranks, M. F. Toney, A. F. Nogueira. Synthesis of polycrystalline ruddlesden-popper organic lead halides and their growth dynamicsChemistry of Materials 31, 9472-9479 (2019).

23.

M. B. Costa, F. W. S. Lucas, L. H. Mascaro. Electrodeposition conditions effect Sb2Se3 thin-film propertiesChemElectroChem 6, 2937-2944 (2019).

22.

M. Medina, P. G. Corradini and L. H. Mascaro. Facile one-step electrodeposition fabrication of amorphous MoS2 catalysts in titanium for hydrogen evolution reactionJournal of the Brazilian Chemical Society 30, 2210-2218 (2019).

2018
21.

K. E. A. Batista, J. L. F. Da Silva and M. J. Piotrowski. Ab initio investigation of the role of atomic radius in the structural formation of PtnTM55-n (TM = Y, Zr, Nb, Mo, and Tc) nanoclusters, The Journal of Physical Chemistry C 122, 7444–7454 (2018).

20.

J. Wessing, C. Ganesamoorthy, S. Kahlal, R. Marchal, C. Gemel, O. Cador, A. C. H. Da Silva, J. L. F. Da Silva, J.-Y. Saillard and R. A. FischerThe Mackay-type cluster [Cu43Al12](Cp*)12: open-shell 67-electron superatom with emerging metal-like electronic structure, Angewandte Chemie International Edition 57, 14630–14634 (2018).

19.

L. Zibordi-Besse, Y. Seminovski, I. Rosalino, D. Guedes-Sobrinho and J. L. F. Da Silva. Physical and chemical properties of unsupported (MO2)n clusters for M = Ti, Zr, or Ce and n = 1 −15: a density functional theory study combined with the tree-growth scheme and euclidean similarity distance algorithm, The Journal of Physical Chemistry C 122, 27702–27712 (2018).

18.

J. Mucelini, R. Costa-Amaral, Y. Seminovski and J. L. F. Da Silva. Ab initio inves- tigation of the formation of ZrO2-like structures upon the adsorption of Zrn on the CeO2(111) surfaceThe Journal of Chemical Physics 149, 244702 (2018).

17.

R. Besse, N. A. M. S. Caturello, C. M. O. Bastos, D. Guedes-Sobrinho, M. P. Lima, G. M.  Sipahi and J. L. F. Da Silva. Size-induced phase evolution of MoSe2 nanoflakes revealed by density functional theory, The Journal of Physical Chemistry C 122, 20483–20488 (2018).

16.

D. Meneses-Gustin, L. Cabral, M. P. Lima and J. L. F. Da Silva, E. Margapoti, S. E. Ulloa, G. E. Marques, V. Lopez-Richard. Photomodulation of transport in monolayer dichalcogenides, Physical Review B 98, 241403(R) (2018).

15.

N. A. M. S. Caturello, R. Besse,  A. C. H. Da Silva,  D. Guedes-Sobrinho,  M. P. Lima and J. L. F. Da Silva. Ab initio investigation of atomistic insights into the nanoflake formation of transition-metal dichalcogenides: the examples of MoS2, MoSe2, and MoTe2, The Journal of Physical Chemistry C 122, 27059–27069 (2018).

14.

L. Cabral, F. P. Sabino, M. P. Lima, G. E. Marques, V. Lopez-Richard and J. L. F.  Da Silva. Azobenzene adsorption on the MoS2(0001) surface: a density functional investigation within van der Waals corrections, The Journal of Physical Chemistry C 122, 18895–18901 (2018).

13.

A. J. P. Neto and E. E. Fileti. Differential capacitance and energetic of the electrical double layer of graphene oxide supercapacitors: impact of the oxidation degree, The Journal of Physical Chemistry C 122, 21824–21832 (2018).

12.

G. Colherinhas, T. Malaspina and E. E. Fileti. Storing energy in biodegradable electrochemical supercapacitors, ACS Omega 3, 13869–13875 (2018).

11.

V. V. Chaban, N. A. Andreevab and E. E. Fileti. Graphene/ionic liquid ultracapacitors: does ionic size correlate with energy storage performance?, New Journal of Physics 42, 18409–18417 (2018).

10.

A. B. Almeida, N. Giovambattista, S. V. Buldyrev and A. M. Alencar. Validation of capillarity theory at the nanometer scale. II: stability and rupture of water capillary bridges in contact with hydrophobic and hydrophilic surfaces, The Journal of Physical Chemistry C 122, 1556–1569 (2018).

9.

A. L. G. Biancolli, D. Herranz, L. Wang, G. Stehlíková, R. Bance-Soualhi, J. Ponce-González, P. Ocón, E. A. Ticianelli, D. K. Whelligan, J. R. Varcoe and E. I. Santiago. ETFE-based anion-exchange membrane ionomer powders for alkaline membrane fuel cells: a first performance comparison of head-group chemistry, Journal of Materials Chemistry A 6, 24330-24341 (2018).

8.

C. G. M. Real, R. Vicentini, W. G. Nunes, O. Vilas Boas, T. A. Alves, D. M. Soares and H. ZaninPolyacrylonitrile and activated carbon composite for electric double layer capacitorsSAE International, 2018-36-0310 (2018).

7.

R. Vicentini, W. G. Nunes, L. H. Costa, A. Pascon, L. M. da Silva, M. Baldan and H. Zanin. Environmentally friendly functionalization of porous carbon electrodes for aqueous-based electrochemical capacitorsIEEE Transactions on Nanotechnology 18, 73-82 (2018).

6.

C. G. M. Real, R. Vicentini, W. G. Nunes, O. Vilas Boas, L. H. Costa, D. M. Soares and H. Zanin. Electric double layer capacitors prepared with polyvinyl alcohol and multi-walled carbon nanotubes,SAE International, 2018-36-0313 (2018).

5.

R. Vicentini, L. H. Costa, W. G. Nunes, O. Vilas Boas, D. M. Soares, T. A. Alves, C. G. M. Real, C. Bueno, A. C. Peterlevitz and H. Zanin. Direct growth of mesoporous carbon on aluminum foil for supercapacitors devicesJournal of Materials Science: Materials in Electronics 29, 10573-10582 (2018).

4.

W. G. Nunes, R. Vicentini, L. M. da Silva, L. H. Costa, T. Tadeu and H. Zanin. Surface and electrochemical properties of radially oriented multiwalled carbon nanotubes grown on stainless steel meshJournal of the Electrochemical Society 165, A3684 (2018).

3.

L. M. Zimmermann, G. I. Almerindo, M. Medeiros, R. F. Affeldt, E. H. Wanderlind, A. P. Gerola, R. A. Nome, M. A. Tumelero, R. Faccio, A. A. Pasa, H. D. Fiedler and F. Nome. Toward heterogeneously catalyzed detoxification of phosphotriesters: insights from kinetics and theoretical calculationsThe Journal of Physical Chemistry C 122, 25530-25538 (2018).

2.

M. Higgins, F. Ely, R. C. Nome, R. A. Nome, D. P. dos Santos, H. Choi, S. Nam and M. Quevedo-Lopez. Enhanced reproducibility of planar perovskite solar cells by fullerene doping with silver nanoparticlesJournal of Applied Physics 124, 065306 (2018).

1.

M. A. Santanna, W. T. Menezes, Y. V. B. Santana, M. M. Ferrer, A. F. Gouveia, A. D. Faceto, A. J. Terezo, A. J. A. Oliveira, E. Longo, R. G. Freitas, E. C. Pereira. The Effect of TiO2 nanotube morphological engineering and ZnS quantum dots on the water splitting reaction: A theoretical and experimental studyInternational Journal of Hydrogen Energy 43, 6838-6850 (2018).


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