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Protein Film Infrared Electrochemistry Demonstrated for Study of H2 Oxidation by a [NiFe] Hydrogenase
Published on: December 4, 2017
Modelling the activity trend of the hydrogen oxidation reaction under constant potential conditions
Wenhui Ling1, Jian Liu1, Bo Yang1
1School of Physical Science and Technology, ShanghaiTech University, 393 Middle Huaxia Road, Shanghai 201210, China. yangbo1@shanghaitech.edu.cn.
Abstract:
A microkinetic model is constructed for the electrocatalytic alkaline hydrogen oxidation reaction based on grand canonical density functional theory calculations and linear relationships with the adsorption energies of hydrogen and hydroxide as descriptors. Using this model, the activity trend suitable for efficient catalyst screening has been identified.
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