Computational materials sciences for efficient water splitting with nanocrystals from abundant elements
funding type European Comission
programme COST Actions
acronym/
reference
COST Action 18234
alternative reference CA18234
research group(s) 6 - computer simulation and multiscale modeling;
department Materials and Ceramic Engineering (DEMaC)
execution dates 2019-11-01 - 2023-11-07 ( 48 Months )
abstract/
keywords
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.
coordinator
/local pi
José R. B. Gomes
ciceco status Partner
proponent institution TECHNION – ISRAEL INSTITUTE OF TECHNOLOGY
partner institution(s) Austria, France, Greece, Iceland, Israel, Poland, Portugal, Romania, Spain, Sweden, Switzerland, Germany, Italy, Latvia, Netherlands, Serbia, Slovenia, Turkey, United Kingdom
industrial partner(s) no
international partner(s) yes
link https://comp-h2o-split.eu/
publications
Sponsors

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