Vibrational lifetimes of hydrogen on lead films: an ab initio molecular dynamics with electronic friction (AIMDEF) study

Using density functional theory and Ab Initio Molecular Dynamics with Electronic Friction (AIMDEF), we study the adsorption and dissipative vibrational dynamics of hydrogen atoms chemisorbed on free-standing lead films of increasing thickness. Lead films are known for their oscillatory behaviour of...

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Veröffentlicht in:	The Journal of chemical physics 2014-12, Vol.141 (23), p.234702-234702
Hauptverfasser:	Saalfrank, Peter, Juaristi, J I, Alducin, M, Blanco-Rey, M, Muiño, R Díez
Format:	Artikel
Sprache:	eng
Schlagworte:	ADSORPTION CHEMISORPTION COUPLING DENSITY DENSITY FUNCTIONAL METHOD ELECTRONS HYDROGEN INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY LEAD Molecular dynamics MOLECULAR DYNAMICS METHOD Physics SURFACES THICKNESS
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