Issue 9 – October 14, 2021

RESEARCH

A team from CINE investigated the errors that occur in machine learning models used to predict physicochemical properties of materials – a topic of great interest in the field of new energies. The results of the study bring more precision to the predictions.

• Go to the paper in the Journal of Chemical Information and Modeling.

• Read the news story on CINE website.

REVIEWS

Article with large participation of CINE researchers reviews and discusses the knowledge generated so far about two-dimensional metal halide perovskites, materials that stand out as promising for the solar cells of the future. The authors also point out paths for the development of this technology. The review was featured on the cover of the journal.

• Go to the article in EcoMat.

RESEARCH

CINE researchers used computational methods to study lead-free inorganic perovskites. They proposed a way to make a more realistic description of the system in the simulations and showed how distortions in the octahedral structure of these materials affect their optoelectronic properties. The work also showed that these perovskites are not attractive for use in solar cells.

• Go to the paper inThe Journal of Physical Chemistry C.

Doctoral student Raphael F. Moral (UNICAMP), a member of the Dense Energy Carriers program, received one of the student awards of the XIX B-MRS Meeting + IUMRS ICEM on September 3 this year. His work (Influence of the Vibrational Modes from the Organic Moieties in 2D Lead Halides on Excitonic Recombination and Phase Transition) was selected as the best oral presentation at the symposium M, dedicated to perovskite-based nanostructures.

The second edition of the CINE Conference began with presentations by CINE founding sponsors (FAPESP and Shell) and leaders. The axis of the event was the presentations by the coordinators and some researchers from the four CINE programs showing the main scientific advances achieved so far, always followed by scientific discussions involving the public. Participants were also able to attend inspiring lectures by scientists Osvaldo N. de Oliveira Jr. (Brazil), Prashant V. Kamat (USA) and Fábio Ribeiro (USA), in addition to the presentation of CINE education and dissemination activities and the case study of a Brazilian company that operates in the global hydrogen market. Between 150 and 260 people participated in each of the sessions, held on the 6th, 7th and 8th of October.

Free registration through this form until October 20th.

XIX B-MRS Meeting + IUMRS ICEM. August 30 to September 3, 2021. Annual meeting of the Brazilian Materials Research Society + biennial congress on electronic materials of the International Union of Materials Research Societies. Event website.

Novos Ares is the podcast that talks about CINE research and its contribution to the energy transition and to a more sustainable economy. The first episode, which is available, introduces the Center and comments on the global challenges that motivated its creation in 2018. Listen here (in Portuguese).