First-principles study of rocksalt early transition-metal carbides as potential catalysts for Li –O2 batteries

Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP06745G, PaperYingying Yang, Yuelin Wang, Man Yao, Xudong Wang, Hao Huang A series of early transition-metal carbides (TMCs) in the NaCl structure have been constructed to compare the catalytic activity in Li –O2 batteries by first-principles calculations. 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 - Phys. Chem. Chem. Phys. latest articles - November 30, 2018 Category: Chemistry Authors: Yingying Yang Source Type: research