Towards first principles modeling of electrochemical electrode-electrolyte interfaces

Surface Science

Volumn 631, Issue , 2015, Pages 2-7

  Nielsen, Malte ^a   Björketun, Mårten E ^a   Hansen, Martin H ^a   Rossmeisl, Jan ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

Atomic scale modeling; Density functional theory; Electrochemical interface

Indexed keywords

ELECTROCHEMICAL ELECTRODES; ELECTROLYTES;

ATOMIC-SCALE MODEL; ELECTROCHEMICAL ENVIRONMENTS; ELECTROCHEMICAL INTERFACE; ELECTRODE-ELECTROLYTE INTERFACES; FIRST PRINCIPLES MODELS; THERMODYNAMIC CONSTRAINTS; TWO DIRECTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84955205337     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2014.08.018     Document Type: Article

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