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Volumn 143, Issue 12, 2015, Pages

An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption

(4) Janke, Svenja M a,b Auerbach, Daniel J a,b Wodtke, Alec M a,b Kandratsenka, Alexander a,b

a UNIVERSITY OF GÖTTINGEN (Germany)

b MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ENERGY DISSIPATION; ENERGY TRANSFER; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AB INITIO MOLECULAR DYNAMICS; EFFECTIVE MEDIUM THEORIES; ELECTRON-HOLE PAIR EXCITATION; ELECTRONIC EXCITATION; ENERGY TRANSFER MECHANISMS; FINITE TEMPERATURES; MOLECULAR DYNAMICS SIMULATIONS; SELF-CONSISTENT APPROACH;

DENSITY FUNCTIONAL THEORY;

GOLD; HYDROGEN;

ADSORPTION; CHEMICAL MODEL; CHEMISTRY; ELECTRON; MOLECULAR DYNAMICS; TEMPERATURE;

ADSORPTION; ELECTRONS; GOLD; HYDROGEN; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; TEMPERATURE;

EID: 84942903489 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.4931669 Document Type: Article

Times cited : (71)

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