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Volumn 22, Issue 38, 2010, Pages
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First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe(110) surface
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Author keywords
[No Author keywords available]
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Indexed keywords
ADSORPTION ENERGIES;
AUGMENTED PLANE-WAVE METHOD;
BARRIER HEIGHTS;
BENZENE MOLECULES;
C ATOMS;
CATALYTIC EFFECTS;
DIFFUSION PROCESS;
DISSOCIATION ENERGIES;
DISSOCIATION PROCESS;
FIRST-PRINCIPLES;
FORMATION PROCESS;
HOLLOW SITES;
MOLECULE DIFFUSION;
NUDGED ELASTIC BAND METHODS;
ADSORPTION;
BENZENE;
DIFFUSION BARRIERS;
FERROMAGNETIC MATERIALS;
FERROMAGNETISM;
GRAPHENE;
MOLECULES;
DISSOCIATION;
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EID: 77957195241
PISSN: 09538984
EISSN: 1361648X
Source Type: Journal
DOI: 10.1088/0953-8984/22/38/384214 Document Type: Article |
Times cited : (9)
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References (15)
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