N-Doped CrS<sub>2</sub> Monolayer as a Highly-Efficient Catalyst for Oxygen Reduction Reaction: A Computational Study

N-Doped CrS<sub>2</sub> Monolayer as a Highly-Efficient Catalyst for Oxygen Reduction Reaction: A Computational Study

Searching for low-cost and highly-efficient oxygen reduction reaction (ORR) catalysts is crucial to the large-scale application of fuel cells. Herein, by means of density functional theory (DFT) computations, we proposed a new class of ORR catalysts by doping the CrS<sub>2</sub> monolaye...

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Bibliographic Details
Main Authors: Zengming Qin, Zhongxu Wang, Xiaofeng Li, Qinghai Cai, Fengyu Li, Jingxiang Zhao
Format: Article
Language:English
Published: MDPI AG 2022-08-01
Series:Nanomaterials
Subjects:
CrS<sub>2</sub> monolayer
non-metal doping
oxygen reduction reaction
overpotential
density functional theory
Online Access:https://www.mdpi.com/2079-4991/12/17/3012

Internet

https://www.mdpi.com/2079-4991/12/17/3012

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