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Insights into ethanol electro-oxidation over solvated Pt(1 0 0): Origin of selectivity and kinetics revealed by DFT

The use of ethanol fuel in direct ethanol fuel cells has been hindered by the slow kinetics of anodic ethanol electro-oxidation reactions over Pt catalysts. We employ ab initio molecular dynamics simulations and thermodynamic integrations on the solvated Pt(1 0 0) model electrode surface with explic...

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Bibliographic Details
Main Authors: Tian Sheng, Chuang Qiu, Xiao Lin, Wen-Feng Lin, Shi-Gang Sun
Format: Default Article
Published: 2020
Subjects:
Online Access:https://hdl.handle.net/2134/12811724.v1
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