Theoretical study of the surface complex between TiO2 and TCNQ showing interfacial charge-transfer transitions

Journal of Physical Chemistry Letters

Volumn 2, Issue 10, 2011, Pages 1167-1170

  Jono, Ryota ^a   Fujisawa, Jun Ichi ^b   Segawa, Hiroshi ^b   Yamashita, Koichi ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER TRANSITIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; EXPERIMENTAL SPECTRA; IR SPECTRUM; NEAR-IR; OPTIMIZED STRUCTURES; SURFACE COMPLEX; TCNQ MOLECULE; THEORETICAL STUDY; TIME-DEPENDENT DFT; TIO;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; OPTIMIZATION; TITANIUM DIOXIDE;

SURFACE STRUCTURE;

EID: 79957583511     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz200390g     Document Type: Article

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