Density functional theory studies of transition metal carbides and nitrides as electrocatalysts

Chem. Soc. Rev., 2021, Advance Article DOI: 10.1039/D1CS00590A, Review ArticleDong Tian, Steven R. Denny, Kongzhai Li, Hua Wang, Shyam Kattel, Jingguang G. Chen This review summarizes density functional theory (DFT) studies of TMCs and TMNs as electrocatalysts. It provides atomistic details of HER, OER, ORR, N2RR and CO2RR and also presents a future outlook in designing TMCs and TMNs based electrocatalysts. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Chemical Society Reviews - September 28, 2021 Category: Chemistry Authors: Dong Tian Source Type: research