Alloying effects on N-O stretching frequency: A density functional theory study of the adsorption of NO on Pd3Mn (100) and (111) surfaces

Journal of Physical Chemistry B

Volumn 105, Issue 15, 2001, Pages 3027-3033

  Loffreda, D ^a,b   Delbecq, F ^a,b   Simon, D ^a,b   Sautet, P ^a,b  

^a CNRS   (France)

^b UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION STRENGTH; DENSITY FUNCTIONAL THEORY; MULLIKEN POPULATION ANALYSIS;

CALCULATIONS; FERMI LEVEL; MANGANESE; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NITROGEN OXIDES; PALLADIUM; PALLADIUM COMPOUNDS; SURFACE CHEMISTRY;

ADSORPTION;

EID: 0037134602     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003274h     Document Type: Article

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