Combined first-principles molecular dynamics/density functional theory study of ammonia electrooxidation on Pt(100) electrode

Journal of Physical Chemistry C

Volumn 117, Issue 48, 2013, Pages 25451-25466

  Skachkov, Dmitry ^a   Venkateswara Rao, Chitturi ^a   Ishikawa, Yasuyuki ^a  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROCATALYTIC ACTIVITY; ELECTROCATALYTIC PROCESS; FIRST-PRINCIPLES MOLECULAR DYNAMICS; INTERMEDIATE SPECIE; MOLECULAR NITROGEN; POTENTIAL-DEPENDENT; REACTION MECHANISM; RELATIVE STABILITIES;

ACTIVATION ENERGY; AMMONIA; ATOMS; ELECTROOXIDATION; NITROGEN; REACTION INTERMEDIATES;

PLATINUM;

EID: 84890384260     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4048874     Document Type: Article

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