DFT calculations of adsorption and decomposition of N2O on Rh(100)

Journal of Physical Chemistry C

Volumn 114, Issue 49, 2010, Pages 21444-21449

  Orita, Hideo ^a   Kubo, Toshitaka ^a   Matsushima, Tatsuo ^b   Kokalj, Anton ^c  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b HOKKAIDO UNIVERSITY   (Japan)

^c JO EF STEFAN INSTITUTE   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

ATOP SITES; CONSTRAINED GEOMETRY; DECOMPOSITION PATHWAY; DENSITY FUNCTIONAL THEORY METHODS; DFT CALCULATION; EXPERIMENTAL DATA; GEOMETRY OPTIMIZATION; INTERNAL ENERGIES; OXYGEN ATOM; STABLE ADSORPTION; TRANSIT METHODS; TRANSITION STATE;

ADSORPTION; CONSTRAINED OPTIMIZATION; DENSITY FUNCTIONAL THEORY; DESORPTION; GEOMETRY; MOLECULAR DYNAMICS; OXYGEN; RHODIUM;

ATOMS;

EID: 78650289781     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp106338t     Document Type: Article

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