Anomalous molecular orbital variation upon adsorption on a wide band gap insulator

Journal of Chemical Physics

Volumn 132, Issue 21, 2010, Pages

  Chen, Wei ^a   Tegenkamp, Christoph ^a   Pfnür, Herbert ^a   Bredow, Thomas ^b  

^a LEIBNIZ UNIVERSITY HANNOVER   (Germany)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATE MOLECULES; ADSORPTION EFFECT; COMPLEX INTERACTION; FIRST-PRINCIPLES CALCULATION; FRONTIER ORBITALS; GLUCONIC ACIDS; GW APPROXIMATION; HYDROXY ACIDS; INSULATING SURFACES; MANY-BODY CORRECTIONS; NON-POLAR SURFACES; ORGANIC MOLECULES; PHYSISORBED; SURFACE POLARIZATIONS; WIDE BAND GAP INSULATOR;

ADSORPTION; CARBOXYLIC ACIDS; ELECTRONIC PROPERTIES; ENERGY GAP; MOLECULAR ORBITALS; MOLECULES;

DENSITY FUNCTIONAL THEORY;

EID: 77953598971     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3431755     Document Type: Article

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