DFT and TD-DFT study on geometries, electronic structures and electronic absorption of some metal free dye sensitizers for dye sensitized solar cells

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 135, Issue , 2015, Pages 1066-1073

  Mohr, T ^a,b   Aroulmoji, V ^a   Ravindran, R Samson ^a   Muller M ^b   Ranjitha, S ^c   Rajarajan, G ^a   Anbarasan, P M ^d  

^a Mahendra Institute of Engineering and Technology   (India)

^b UNIVERSITY OF APPLIED SCIENCES   (Germany)

^c VELALAR COLLEGE OF ENGINEERING AND TECHNOLOGY   (India)

^d PERIYAR UNIVERSITY   (India)

Author keywords

Absorption spectrum; DFT and TD DFT; DSSC; Dye sensitizer; Geometric structure; HOMO and LUMO orbitals

Indexed keywords

ABSORPTION SPECTRA; ABSORPTION SPECTROSCOPY; DENSITY FUNCTIONAL THEORY; DYE-SENSITIZED SOLAR CELLS; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRON TRANSITIONS; SOLAR CELLS;

DFT AND TD-DFT; DSSC; DYE SENSITIZERS; GEOMETRIC STRUCTURE; ORBITALS;

ELECTRONIC STRUCTURE;

ACETONITRILE; ACETONITRILE DERIVATIVE; COLORING AGENT; METAL; SOLVENT;

ABSORPTION; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; QUANTUM THEORY; SOLAR ENERGY; THERMODYNAMICS; TIME; ULTRAVIOLET SPECTROPHOTOMETRY;

ABSORPTION, PHYSICOCHEMICAL; ACETONITRILES; COLORING AGENTS; ELECTRONS; METALS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SOLAR ENERGY; SOLVENTS; SPECTROPHOTOMETRY, ULTRAVIOLET; THERMODYNAMICS; TIME FACTORS;

EID: 84907362406     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2014.07.094     Document Type: Article

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