Computational materials sciences for efficient water splitting with nanocrystals from abundant elements
tipo de financiamento European Comission
programa COST Actions
acrónimo/
referência
COST Action 18234
referência alternative CA18234
grupo(s) de investigação 6 - simulação computacional e modelação multi-escala;
departamento Materials and Ceramic Engineering (DEMaC)
período de execução 2019-11-01 - 2023-11-07 ( 48 Meses )
resumo/
palavras-chave
Modern society in Europe needs a source of energy that is generated without harming the environment.

The efficiency of renewable energy converting devices such as water splitting with electrochemical cells based on nano-scaled oxides relies on a sensible choice of material components. However, larger scale material and device properties such as interface segregation, grain boundary movement, ionic diffusion through porous materials, and mechanical loading also strongly impact performance, making the theoretical simulation of realistic devices a challenging multi-scale problem. Although the scientific community has developed expertise in the individual modelling fields, much less effort has been devoted to integrating and combining the scales toward a multi-scale approach. The ultimate central challenge will be to generate a multiscale modelling platform that will be used world-wide for conducting state-of-the-art multi-scale property prediction of materials.
coordenador
/ip local
José R. B. Gomes
ciceco status Parceiro
instituição proponente TECHNION – ISRAEL INSTITUTE OF TECHNOLOGY
instituições participante(s) Austria, France, Greece, Iceland, Israel, Poland, Portugal, Romania, Spain, Sweden, Switzerland, Germany, Italy, Latvia, Netherlands, Serbia, Slovenia, Turkey, United Kingdom
participação industrial Não
parceiro(s) internacional Sim
link https://comp-h2o-split.eu/
publicações
Apoio

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