Fingerprints of energy dissipation for exothermic surface chemical reactions: O2 on Pd(100)

Journal of Chemical Physics

Volumn 143, Issue 3, 2015, Pages

  Bukas, Vanessa J ^a   Mitra, Shubhrajyoti ^a   Meyer, Jörg ^b   Reuter, Karsten ^a,c  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b LEIDEN UNIVERSITY   (Netherlands)

^c STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CURVE FITTING; DEGREES OF FREEDOM (MECHANICS); DENSITY FUNCTIONAL THEORY; ENERGY DISSIPATION; PALLADIUM; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

ADSORPTION MECHANISM; DYNAMICAL SIMULATION; FIRST-PRINCIPLES CALCULATION; GENERALIZED LANGEVIN OSCILLATOR MODELS; LOCAL DENSITY FUNCTIONAL; STICKING COEFFICIENTS; SURFACE CHEMICAL REACTIONS; SURFACE MOBILITY;

SURFACE REACTIONS;

EID: 84937509464     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4926989     Document Type: Article

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