Adsorption and diffusion of a single Pt atom on γ-Al2O3 surfaces

Surface Science

Volumn 603, Issue 17, 2009, Pages 2793-2807

  Aaron Deskins, N ^a   Mei, Donghai ^a   Dupuis, Michel ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

Ab initio quantum chemical methods and calculations; Aluminum oxide; Atom solid interactions; Monte Carlo simulations; Semiconducting surfaces

Indexed keywords

AB INITIO QUANTUM CHEMICAL METHODS AND CALCULATIONS; ALUMINUM OXIDE; ATOM-SOLID INTERACTIONS; MONTE CARLO SIMULATIONS; SEMICONDUCTING SURFACES;

ADSORPTION; ALUMINA; ALUMINUM; ATOMS; BINDING SITES; CHARGE TRANSFER; COMPUTER SIMULATION LANGUAGES; DENSITY FUNCTIONAL THEORY; DIFFUSION; DIFFUSION BARRIERS; HYDRATES; ION EXCHANGE; OPTICAL RESOLVING POWER; OXIDES; PLATINUM; QUANTUM CHEMISTRY; RADIATION DAMAGE; SIMULATORS; SINTERING; SURFACE DIFFUSION;

MONTE CARLO METHODS;

EID: 68949121011     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.07.021     Document Type: Article

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