Relationships between the surface electronic and chemical properties of doped 4d and 5d late transition metal dioxides

Journal of Chemical Physics

Volumn 142, Issue 10, 2015, Pages

  Xu, Zhongnan ^a   Kitchin, John R ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ATOMS; CHARGE TRANSFER; CHEMICAL PROPERTIES; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC STRUCTURE; LIGANDS; METALS; OXIDE MINERALS; POSITIVE IONS; QUANTUM CHEMISTRY; TRANSITION METAL COMPOUNDS;

ADSORPTION ENERGIES; ATOM-PROJECTED DENSITY; ATOMIC ORBITAL; ATOMIC OXYGEN; BAND FILLINGS; CHEMICAL IDENTITY; LATE TRANSITION METALS; LIGAND EFFECT;

TRANSITION METALS;

EID: 84924911828     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4914093     Document Type: Article

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