First-principles molecular dynamics at a constant electrode potential

Physical Review Letters

Volumn 109, Issue 26, 2012, Pages

  Bonnet, Nicéphore ^a,b   Morishita, Tetsuya ^a   Sugino, Osamu ^b   Otani, Minoru ^a  

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

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRODES; ELECTRONIC STRUCTURE; POTENTIAL ENERGY; VOLTAGE REGULATORS;

CONTROL VARIABLE; DYNAMICAL EQUATION; ELECTRODE POTENTIALS; ELECTRONIC CHARGES; ELECTRONIC STRUCTURE CALCULATIONS; EXTENDED SYSTEMS; FIRST PRINCIPLES MOLECULAR DYNAMICS; THERMAL FLUCTUATIONS;

MOLECULAR DYNAMICS;

EID: 84871772461     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.109.266101     Document Type: Article

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