Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: A trend study of surface electronic factors

Journal of Physics Condensed Matter

Volumn 22, Issue 37, 2010, Pages

  Vojvodic, A ^a   Ruberto, C ^a   Lundqvist, B I ^a,b  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION STRENGTH; COUPLING MODELS; DENSITIES OF STATE; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC FACTORS; ENERGY VALUE; GROWTH PROCESS; MOLECULAR ADSORPTION; PERIODIC TABLE; PSEUDO-GAP; REAL-SPACE ANALYSIS; SPATIAL EXTENT; SURFACE ELECTRONIC STRUCTURES; SURFACE ENERGIES; SURFACE PROCESS; SURFACE RESONANCE; TRANSITION-METAL CARBIDES;

ADSORBATES; ADSORPTION; ATOMS; CATALYSIS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ION EXCHANGE; SODIUM CHLORIDE; SURFACE CHEMISTRY; TIME VARYING SYSTEMS; TITANIUM CARBIDE; TITANIUM NITRIDE; TRANSITION METALS; WAVE FUNCTIONS; ZIRCONIUM COMPOUNDS;

SURFACES;

EID: 77957083427     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/37/375504     Document Type: Article

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