Molecular dynamics simulations of the diffusion of benzene sub-monolayer films on graphite basal plane surfaces

Carbon

Volumn 47, Issue 11, 2009, Pages 2627-2639

  Fouquet, Peter ^a   Johnson, Mark R ^a   Hedgeland, Holly ^b   Jardine, Andrew P ^b   Ellis, John ^b   Allison, William ^b  

^a INSTITUT LAUE LANGEVIN   (France)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ATOMISTIC CALCULATIONS; BASAL PLANES; BENZENE MOLECULES; BOND INTERACTIONS; CLASSICAL MOLECULAR DYNAMICS; DIFFUSIVE MOTIONS; FORCEFIELDS; GENERAL PURPOSE; LARGE-SCALE CALCULATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULE DIFFUSION; MONOLAYER FILM; NEUTRON SPIN-ECHO SPECTROSCOPY; ROTATION ANGLES; ROTATIONAL STATE; SECOND GENERATION; SMALL DIFFUSION; SPIN ECHO; SUBMONOLAYER COVERAGE;

BENZENE; DIFFUSION; DYNAMICS; GRAPHITE; HELIUM; MOLECULAR DYNAMICS; MOLECULES; MONOLAYERS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SPIN DYNAMICS;

DIFFUSION BARRIERS;

EID: 67649853096     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2009.05.018     Document Type: Article

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