First-principles molecular dynamics simulation of biased electrode/solution interface

Surface Science

Volumn 601, Issue 22, 2007, Pages 5237-5240

  Sugino, Osamu ^a,e   Hamada, Ikutaro ^b,e   Otani, Minoru ^a,e   Morikawa, Yoshitada ^b,c,e   Ikeshoji, Tamio ^c,e   Okamoto, Yasuharu ^d,e  

^a UNIVERSITY OF TOKYO   (Japan)

^b OSAKA UNIVERSITY   (Japan)

^c NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^d NEC CORPORATION   (Japan)

^e JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Bias potential; First principles molecular dynamics simulation; Helmholtz layer; Metal water interface

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; ELECTRIC FIELDS; MOLECULAR DYNAMICS; PLATINUM; WATER;

BIAS POTENTIAL; FIRST-PRINCIPLES MOLECULAR DYNAMICS SIMULATIONS; HELMHOLTZ LAYERS; METAL-WATER INTERFACE;

INTERFACES (MATERIALS);

EID: 35748978853     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2007.04.208     Document Type: Article

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