Fundamental Understanding of Hydrogen Evolution Reaction on Zinc Anode Surface: A First-Principles Study

Fundamental Understanding of Hydrogen Evolution Reaction on Zinc Anode Surface: A First-Principles Study

Highlights The reaction mechanisms of hydrogen evolution reaction (HER) on various crystal surfaces of zinc anode have been systematically investigated by first-principle calculations. Both the thermodynamic and kinetic aspects of HER have been studied to reveal the relative HER activity of several...

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Bibliographic Details
Main Authors: Xiaoyu Liu, Yiming Guo, Fanghua Ning, Yuyu Liu, Siqi Shi, Qian Li, Jiujun Zhang, Shigang Lu, Jin Yi
Format: Article
Language:English
Published: SpringerOpen 2024-02-01
Series:Nano-Micro Letters
Subjects:
Aqueous Zn-ion battery
Zn anode
Hydrogen evolution reaction
Coordination number
First-principles calculation
Online Access:https://doi.org/10.1007/s40820-024-01337-0
Description
Summary:Highlights The reaction mechanisms of hydrogen evolution reaction (HER) on various crystal surfaces of zinc anode have been systematically investigated by first-principle calculations. Both the thermodynamic and kinetic aspects of HER have been studied to reveal the relative HER activity of several crystal surface of zinc anode. The generalized coordination number of surface Zn atoms are proposed as a key descriptor of HER activity of Zn anode.
ISSN:2311-6706
2150-5551

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