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Published in 2017 at "Advances in Physics: X"
DOI: 10.1080/23746149.2017.1308230
Abstract: Graphical Abstract Abstract The methodology for atomic scale calculations of electrocatalysis in order to identify mechanisms and estimate reaction rates is reviewed. These include: (1) the application of an external electrical field or potential in…
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Keywords:
simulations heterogeneous;
electrocatalysis recent;
scale simulations;
atomic scale ... See more keywords