H2 binding energy may be an auxiliary criterion of H adsorption free energy to estimate hydrogen evolution catalyst

H2 binding energy may be an auxiliary criterion of H adsorption free energy to estimate hydrogen evolution catalyst

The H adsorption free energy (ΔGH) is commonly used as a descriptor to estimate the activity of hydrogen evolution catalyst and a ΔGH close to zero is desired for the hydrogen evolution catalyst. The whole hydrogen evolution reaction (HER) process includes the generation *H and *H2 and *H2 desorptio...

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Bibliographic Details
Main Authors: Chao Kong, Yanxia Han, Lijie Hou, Chao Shuai, Ke Gai, Xiaoli Song
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Next Energy
Subjects:
H2 binding energy
Catalyst
Activity
Hydrogen evolution reaction (HER)
DFT
Online Access:http://www.sciencedirect.com/science/article/pii/S2949821X25001243
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