Tuning the catalytic activity of a single Mo atom supported on graphene for nitrogen reduction via Se atom doping

• Published in: Physical chemistry chemical physics : PCCP Vol. 21; no. 27; pp. 14583 - 14588
• Main Authors: Zhou, Hong Yu, Li, Jian Chen, Wen, Zi, Jiang, Qing
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 10.07.2019
• Subjects: Ammonia; Catalysis; Catalytic activity; Chemical reduction; Density functional theory; Doping; Electrocatalysts; Electronic structure; Graphene; Nitrogen

Electrochemical nitrogen (N 2 ) fixation as an effective method has realized the sustainable production of ammonia where efficient electrocatalysts for converting N 2 into NH 3 at room temperature have become a key scientific issue. Herein, we proposed that the catalytic activity of a single Mo atom...