Theoretical design and screening of panchromatic phthalocyanine sensitizers derived from TT1 for dye-sensitized solar cells

Journal of Molecular Graphics and Modelling

Volumn 34, Issue , 2012, Pages 1-9

  Yang, Linlin ^a   Guo, Lianshun ^a   Chen, Qianqian ^a   Sun, Huafei ^a   Liu, Jie ^a   Zhang, Xianxi ^a   Pan, Xu ^b   Dai, Songyuan ^b  

^a LIAOCHENG UNIVERSITY   (China)

^b INSTITUTE OF PLASMA PHYSICS   (China)

Author keywords

DFT calculations; Dye sensitized solar cells; Electronic absorption spectra; Molecule design; Orbital energy level; Phthalocyanine

Indexed keywords

DFT CALCULATION; DYE-SENSITIZED SOLAR CELL; ELECTRONIC ABSORPTION SPECTRA; ORBITAL ENERGY LEVELS; PHTHALOCYANINE;

DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC WAVE ABSORPTION; MOLECULAR ORBITALS; NITROGEN COMPOUNDS; PRODUCT DESIGN; SOLAR CELLS; ZINC COMPOUNDS;

PHOTOELECTROCHEMICAL CELLS;

CARBOXYL GROUP; PHTHALOCYANINE; PHTHALOCYANINE ZINC;

ABSORPTION SPECTROSCOPY; ARTICLE; CELLS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DYE SENSITIZED SOLAR CELL; PRIORITY JOURNAL; SCREENING; THEORETICAL STUDY;

COMPUTER SIMULATION; ELECTROCHEMISTRY; INDOLES; MODELS, CHEMICAL; MODELS, MOLECULAR; ORGANOMETALLIC COMPOUNDS; PHOTOCHEMICAL PROCESSES; SOLAR ENERGY; THERMODYNAMICS;

EID: 84863169452     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.12.001     Document Type: Article

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