Surface diffusion of hydrogen on Ni(100) from ring polymer molecular dynamics

Journal of Physical Chemistry C

Volumn 116, Issue 20, 2012, Pages 11141-11153

  Suleimanov, Yury V ^a  

^a UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CROSSOVER TEMPERATURE; DIVIDING SURFACES; EMBEDDED-ATOM METHOD; GREEN-KUBO; GREEN-KUBO RELATIONS; HIGH-TEMPERATURE REGIME; INSTANTONS; INTERACTION POTENTIALS; LATTICE MODELS; LATTICE MOTION; LOW-TEMPERATURE REGIME; METAL ATOMS; MULTIPLE HOPS; QUANTUM DIFFUSION; RANDOM WALK; RANDOM WALK MODELS; RING POLYMERS; THEORETICAL FRAMEWORK; THEORETICAL RESULT; THERMALLY ACTIVATED DIFFUSION; TRANSITION STATE; VERY LOW TEMPERATURES;

HYDROGEN; MOLECULAR DYNAMICS; RANDOM PROCESSES;

DIFFUSION;

EID: 84861488418     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp302453z     Document Type: Article

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