Methods for calculating the desorption rate of an isolated molecule from a surface: Water on MgO(0 0 1)

Surface Science

Volumn 601, Issue 21, 2007, Pages 5016-5025

  Fox, H ^a   Gillan, M J ^a   Horsfield, A P ^b  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Atom solid interactions; Equilibrium thermodynamics and statistical mechanics; Magnesium oxides; Molecular dynamics; Physical adsorption; Semi empirical models and model calculations; Thermal desorption; Water

Indexed keywords

COMPUTER SIMULATION; MAGNESIA; MOLECULAR DYNAMICS; STATISTICAL MECHANICS; THERMAL DESORPTION;

ATOM-SOLID INTERACTIONS; EQUILIBRIUM THERMODYNAMICS; MAGNESIUM OXIDES; MODEL CALCULATIONS; PHYSICAL ADSORPTION; SEMI-EMPIRICAL MODELS;

SURFACE MORPHOLOGY;

EID: 35448943179     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2007.08.024     Document Type: Article

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