CA18234. Computational materials sciences for efficient water splitting with nanocrystals from abundant elements
Meeting Sweden, Stockholm 26 and 27 November, 2020 More information soon
Michele Pavone and Maytal Caspary Toroker ACS Energy Lett. 2020, 5, 6, 2042–2044 https://pubs.acs.org/doi/10.1021/acsenergylett.0c01086?ref=pdf&
Which will take place on Tuesday 7.7.2020 9:00-12:00 (EU time). CA18234 virtual conference program
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.