A DFT/TDDFT study of porphyrazines and phthalocyanine oxo-titanium derivatives as potential dyes in solar cells

International Journal of Quantum Chemistry

Volumn 111, Issue 15, 2011, Pages 4186-4196

  Zarate, Ximena ^a   Schott, Eduardo ^a   Arratia Pérez, Ramiro ^a  

^a UNIVERSIDAD ANDRÉS BELLO   (Chile)

Author keywords

DFT; phthalocyanine; porphyrazine; spectra; TDDFT

Indexed keywords

CHARGE SEPARATIONS; DFT; DYE-SENSITIZED SOLAR CELL; EXPERIMENTAL DATA; FRONTIER MOLECULAR ORBITALS; GROUND STATE ELECTRONIC STRUCTURE; LIGHT-HARVESTING; LOWEST ENERGY LEVEL; ORBITALS; PHTHALOCYANINE; PORPHYRAZINES; TDDFT; TI COMPLEXES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIO; UV-VIS ABSORPTION SPECTRA; VISIBLE REGION;

ATMOSPHERIC SPECTRA; DENSITY FUNCTIONAL THEORY; DYES; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; NITROGEN COMPOUNDS; OPTICAL PROPERTIES; SOLAR ENERGY; TITANIUM; TITANIUM DIOXIDE; ULTRAVIOLET SPECTROSCOPY;

TITANIUM COMPOUNDS;

EID: 80053576401     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22998     Document Type: Article

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