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Volumn 10, Issue 11, 2010, Pages 7196-7199
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Adsorption and dissociation of the O 2 on W(111) surface: A density functional theory study
a b a c c d e c |
Author keywords
Adsorption; DFT; Dissociation; Oxygen Molecule; Tungsten
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Indexed keywords
A-DENSITY;
AB INITIO MOLECULAR DYNAMICS SIMULATION;
ADSORPTION ENERGIES;
DFT;
DISSOCIATION MECHANISMS;
DISSOCIATION REACTIONS;
IN-PROCESS;
MINIMUM ENERGY;
NUDGED ELASTIC BAND;
OXYGEN MOLECULE;
PROJECTOR AUGMENTED WAVES;
TRANSITION STATE;
ADSORPTION;
BOND LENGTH;
DENSITY FUNCTIONAL THEORY;
DISSOCIATION;
LIGHT POLARIZATION;
MOLECULAR DYNAMICS;
OXYGEN;
REACTION KINETICS;
TUNGSTEN;
MOLECULES;
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EID: 79955547389
PISSN: 15334880
EISSN: None
Source Type: Journal
DOI: 10.1166/jnn.2010.2921 Document Type: Conference Paper |
Times cited : (3)
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References (12)
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