Minicurso

 


Estão abertas as matrículas para o minicurso PGF5355 - Energy relevant materials: fundamental concepts and applications que vale 1 crédito no histórico acadêmico. A disciplina tem duração de 3 dias e as aulas serão ministradas pelo Prof. Moysés Araújo, da Universidade de Uppsala (Suécia). Para realizar a matrícula, preencha e entregue na Secretaria o "Formulário de matrícula em disciplina(s)".
Alunos que não têm vínculo com o nosso programa podem se inscrever como alunos especiais mediante a apresentação de alguns documentos; clique aqui para ver quais são.

Veja, abaixo, o programa fornecido pelo professor (lembrando que o minicurso será oferecido em inglês).

Objectives
To indroduce concepts in molecular and materials sciences relevants in the study of energy conversion and storage.

Justification
This mini-course will cover some fundamental concepts in molecular and materials sciences relevants for applications on energy conversion and storage. Two prominent scientific topics on the modern routes to implement an environmentally friendly energy matrix will be discussed. The first is the so-called artificial photosynthesis where the solar energy is converted into chemical energy (producing the solar fuels) with the aid of a photo-electro-catalyst. The mechanisms of photo-induced charge transfer reactions will be presented. This topic is closely related the prospective usage of hydrogen as our future energy carrier. The second topic will be the electrical energy storage in battery devices. A special attention will be given for recently proposed organic electrodes. The physics and chemistry of ion insertion in organic materials will be presented. First-principles theory based approaches will be covered and also some artificial inteligence concepts.

Bibliography

The course bibliography is based on scientific articles, for instance:
1. Alexander Urban, Dong-Hwa Seo and Gerbrand Ceder “Computational understanding of Li-ion batteries” npj Computational Materials 2, 16002 (2016).
2. Keith T. Butler, Daniel W. Davies, Hugh Cartwright, Olexandr Isayev & Aron Walsh “Machine learning for molecular and materials science” Nature 559, 547–555 (2018).
3. Giane Damas, Cleber F.N. Marchiori, C. Moyses Araujo “On the Design of Donor–Acceptor Conjugated Polymers for Photocatalytic Hydrogen Evolution Reaction: First-Principles Theory-Based Assessment” J. Phys. Chem. C 122, 26876 (2018).