Nature of the electrochemical HClO₄/Pt(111) interface

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• 作者：Shan Ping Liu^a ; Ming Zhao^a ; Wang Gao^a ; ^{wgao@jlu.edu.cn} ; ^{wgao@fhi-berlin.mpg.de} ; Timo Jacob^b ; Qing Jiang^a
• 关键词：Electrochemsitry ; Electrode-electrolyte interface ; Density functional theory ; Perchloric acid ; Electrostatic potential
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：1 April 2017
• 年：2017
• 卷：400
• 期：Complete
• 页码：426-433
• 全文大小：2955 K
• 卷排序：400

文摘

HClO4* is most likely to dissociate into ClO4* on Pt(111) surface, leading to an adlayer of ClO4* co-adsorbed with H3O* and H2O* molecules. The stability of this ClO4* co-adsorbed adlayer is almost equal to that of a H2O* + H3O* bilayer. This competition would prohibit the formation of periodic ClO4* + H2O* + H3O* adlayer, yielding a weak adsorption of ClO4* in electrochemical condition as the experiments found. The electrostatic potential along the direction that is perpendicular to the substrate exhibits distinguishable peaks for the different interfacial structures.