Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

Journal of Chemical Physics

Volumn 141, Issue 5, 2014, Pages

  Kroes, Geert Jan ^a   Pavanello, Michele ^a,g   Blanco Rey, María ^b,c   Alducin, Maite ^c,d   Auerbach, Daniel J ^a,e,f  

^a LEIDEN UNIVERSITY   (Netherlands)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^c DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^d CENTRO MIXTO CSIC UPV EHU   (Spain)

^e MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^f UNIVERSITY OF GÖTTINGEN   (Germany)

^g RUTGERS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; FORECASTING; MOLECULAR DYNAMICS; MOLECULES; PHONONS;

AB INITIO MOLECULAR DYNAMICS; ELECTRON HOLE PAIRS; ELECTRONIC FRICTION; ENERGY-LOSS SPECTRUM; HIGH-ENERGY RESOLUTION; INCIDENT PARTICLES; TRANSLATIONAL ENERGY; TRANSLATIONAL MOTIONS;

ENERGY DISSIPATION;

COPPER; GOLD; HYDROGEN;

BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HEAT; HYDROGEN BOND; QUANTUM THEORY; RADIATION SCATTERING; SURFACE PROPERTY;

BINDING SITES; COMPUTER SIMULATION; COPPER; GOLD; HOT TEMPERATURE; HYDROGEN; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; SCATTERING, RADIATION; SURFACE PROPERTIES;

EID: 84906070879     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4891483     Document Type: Article

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