Open AccessComputational Design of Single Mo Atom Anchored Defective Boron Phosphide Monolayer as a High‐performance Electrocatalyst for the Nitrogen Reduction Reaction
Author(s) -
Liu Zaichun,
Huang Ting,
Chang Huhu,
Wang Faxing,
Wen Juan,
Sun Haodong,
Hossain Masud,
Xie Qingji,
Zhao Yan,
Wu Yuping
Publication year - 2021
Publication title -
energy and environmental materials
Language(s) - English
Resource type - Journals
ISSN - 2575-0356
DOI - 10.1002/eem2.12120
Subject(s) - electrocatalyst , phosphide , catalysis , monolayer , ammonia production , electrochemistry , boron , transition metal , chemistry , nitrogen , inorganic chemistry , ammonia , materials science , nanotechnology , electrode , organic chemistry
Electrochemical nitrogen reduction reaction is considered as an energy‐saving technology for artificial N 2 fixation at ambient conditions. Here, the single Mo atom supported by the P‐vacancy defected BP monolayer is proved to be a promising single‐atom electrocatalyst for N 2 fixation with a considerably small overpotential.