Perspective on theoretical methods and modeling relating to electro-catalysis processes.
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DOI: 10.1039/d0cc02998j
Abstract: Electro-catalysis is expected to be a promising clean alternative for energy conversion, and the search for effective and stable electro-catalysts is fundamental. Theoretical calculations play an important role in the rational design and optimization of… read more here.
Keywords: modeling relating; theoretical methods; electro catalysis; catalysis ... See more keywords