The effect of anchoring group number on molecular structures and absorption spectra of triphenylamine sensitizers: A computational study

Journal of Molecular Modeling

Volumn 18, Issue 5, 2012, Pages 1767-1777

  Xu, Jie ^a   Zhu, Ligen ^a   Wang, Lei ^a   Liu, Li ^a   Bai, Zikui ^a   Wang, Luoxin ^a   Xu, Weilin ^a  

^a WUHAN TEXTILE UNIVERSITY   (China)

Author keywords

Absorption spectra; Density functional theory; Dye sensitized solar cells; Molecular structures; Triphenylamine dyes

Indexed keywords

ANILINE DERIVATIVE; TITANIUM DIOXIDE;

ABSORPTION SPECTROSCOPY; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRODE; GEOMETRY; PRIORITY JOURNAL; SEMICONDUCTOR; SIMULATION;

ANILINE COMPOUNDS; COLORING AGENTS; COMPUTER SIMULATION; ELECTROCHEMICAL TECHNIQUES; ELECTRODES; ELECTRONS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; QUANTUM THEORY; SOLAR ENERGY; THERMODYNAMICS; TITANIUM;

EID: 84861231249     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1208-z     Document Type: Article

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