First-principles thermodynamic description of hydrogen electroadsorption on the Pt(111) surface

Surface Science

Volumn 625, Issue , 2014, Pages 104-111

  Hanh, Tran Thi Thu ^a,b   Takimoto, Yoshinari ^a   Sugino, Osamu ^a,c  

^a UNIVERSITY OF TOKYO   (Japan)

^b Ho Chi Minh City University of Technology   (Viet Nam)

^c NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

Density functional calculation; Hydrogen electroadsorption; Monte Carlo simulation; Platinum surface

Indexed keywords

ADSORPTION ISOTHERMS; CALCULATIONS; CYCLIC VOLTAMMETRY; HYDROGEN; MONTE CARLO METHODS;

CYCLIC VOLTAMMETRY DATA; ELECTROADSORPTION; HYDRATION EFFECTS; LATTICE GAS MODEL; PLATINUM SURFACE; RELATIVE ABUNDANCE; THERMODYNAMIC DESCRIPTION; ZERO-POINT ENERGY CORRECTION;

DENSITY FUNCTIONAL THEORY;

EID: 84899748481     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2014.03.006     Document Type: Article

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