Computational Design of Single Mo Atom Anchored Defective Boron Phosphide Monolayer as a High‐performance Electrocatalyst for the Nitrogen Reduction Reaction | Zendy

Liu Zaichun | Zendy; Huang Ting | Zendy; Chang Huhu | Zendy; Wang Faxing | Zendy; Wen Juan | Zendy; Sun Haodong | Zendy; Hossain Masud | Zendy; Xie Qingji | Zendy; Zhao Yan | Zendy; Wu Yuping | Zendy

Open Access

Computational 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.

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