A DFT study of Ni clusters deposition on titania and zirconia (101) surfaces

Surface Science

Volumn 646, Issue , 2016, Pages 230-238

  Tosoni, Sergio ^a   Chen, Hsin Yi Tiffany ^a   Pacchioni, Gianfranco ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

Density functional calculations; Heterogeneous catalysis; Oxide surfaces; Oxygen spillover; Supported metal nanoparticles

Indexed keywords

ATOMS; BIOCONVERSION; CATALYSIS; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DEPOSITION; ELECTRONIC STRUCTURE; METAL NANOPARTICLES; METALS; NICKEL; OXYGEN; REDUCTION; TITANIUM DIOXIDE; TITANIUM OXIDES;

BIOMASS CONVERSION; DIRECT CONTACT; DIRECT REDUCTION; NEGATIVELY CHARGED; OXIDE SURFACE; OXYGEN SPILLOVER; POSITIVELY CHARGED; STOICHIOMETRIC SURFACES;

ZIRCONIA;

EID: 84955710276     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2015.04.004     Document Type: Article

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