D-alaninol adsorption on Cu(100): Photoelectron spectroscopy and first-principles calculations

Journal of Physical Chemistry B

Volumn 112, Issue 13, 2008, Pages 3963-3970

  Gori, Paola ^a   Contini, Giorgio ^a   Prosperi, Tommaso ^a   Catone, Daniele ^a   Turchini, Stefano ^a   Zema, Nicola ^a   Palma, Amedeo ^b  

^a CNR   (Italy)

^b CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; AMINATION; AMINES; COPPER ALLOYS; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; MOLECULAR SPECTROSCOPY; PHOTOELECTRON SPECTROSCOPY; PHOTOIONIZATION; PHOTONS; PROBABILITY DENSITY FUNCTION;

1 PROPANOL; 2-AMINO; ADSORPTION SITES; ADSORPTION STRUCTURES; AMERICAN CHEMICAL SOCIETY (ACS); AMINO GROUPS; COPPER ATOMS; COPPER SURFACES; CORE LEVEL SHIFTS; CU(1 1 0); DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS; FIRST-PRINCIPLES CALCULATIONS; HYDROXYL GROUPS; PHOTOELECTRON (PE) SPECTRUM; SELF-ASSEMBLED; SINGLE MOLECULE (SM); VALENCE-BAND ELECTRONIC STRUCTURE;

COPPER;

2-AMINOPROPANOL; AMINOPROPANOL; COPPER; PROPANOLAMINE DERIVATIVE;

ADSORPTION; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; METHODOLOGY; SPECTROSCOPY; STEREOISOMERISM; SURFACE PROPERTY;

ADSORPTION; COMPUTER SIMULATION; COPPER; MODELS, CHEMICAL; PROPANOLAMINES; SPECTRUM ANALYSIS; STEREOISOMERISM; SURFACE PROPERTIES;

EID: 45849084699     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp710646a     Document Type: Article

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