Boron-Doped MXenes as Electrocatalysts for Nitrogen Reduction Reaction: A Theoretical Study

Boron-Doped MXenes as Electrocatalysts for Nitrogen Reduction Reaction: A Theoretical Study

Electrocatalytic nitrogen reduction reaction (NRR) is a promising and sustainable approach for ammonia production. Since boron as an active center possesses electronic structure similar to that of transition metals with d-orbitals (J. Am. Chem. Soc., 2019, 141 (7), 2884), it is supposed to be able t...

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Bibliographic Details
Main Authors: Yuan Wang, Xu Qian, Guokui Zheng, Ziqi Tian, Qiuju Zhang
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-06-01
Series:Frontiers in Chemical Engineering
Subjects:
electrocatalysis
nitrogen reduction
MXene
boron-containing compounds
DFT
single atom catalyst
Online Access:https://www.frontiersin.org/articles/10.3389/fceng.2021.702129/full

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https://www.frontiersin.org/articles/10.3389/fceng.2021.702129/full

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