Theoretical investigation of self-assembled donor-acceptor phthalocyanine complexes and their application in dye-sensitized solar cells

Journal of Molecular Graphics and Modelling

Volumn 59, Issue , 2015, Pages 100-106

  Yu, Lijuan ^a,b   Lin, Li ^b   Liu, Yuwen ^b   Li, Renjie ^b  

^a SOUTH CHINA SEA FISHERIES RESEARCH INSTITUTE   (China)

^b WUHAN UNIVERSITY   (China)

Author keywords

Axial coordination; Density functional calculations; Dye sensitized solar cell; Self assembled; Zinc phthalocyanine

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; NITROGEN COMPOUNDS; SOLAR CELLS; SOLAR POWER GENERATION; ZINC; ZINC COMPOUNDS;

AXIAL COORDINATION; DENSITY FUNCTIONAL THEORY METHODS; PHOTOVOLTAIC PERFORMANCE; PHTHALOCYANINE COMPLEXES; SELF-ASSEMBLED; SENSITIZED SOLAR CELLS; THEORETICAL INVESTIGATIONS; ZINC PHTHALOCYANINES;

DYE-SENSITIZED SOLAR CELLS;

4 CARBOXYL PYRIDINE; CARBON; MACROCYCLIC COMPOUND; PHTHALOCYANINE ZINC; PYRIDINE; TITANIUM DIOXIDE; UNCLASSIFIED DRUG; COLORING AGENT; INDOLE DERIVATIVE; ORGANOMETALLIC COMPOUND; PHTHALOCYANINE; ZN(II)-PHTHALOCYANINE;

ANALYTIC METHOD; ARTICLE; ATOMIC CHARGE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRIC CURRENT; ELECTRIC POTENTIAL; ELECTRICITY; ELECTRON; ENERGY TRANSFER; FILL FACTOR; INFRARED SPECTROSCOPY; LIGHT RELATED PHENOMENA; MOLECULAR ORBITAL ENERGY GAP; MOLECULAR ORBITAL SPATIAL DISTRIBUTION; OPEN CIRCUIT POTENTIAL; OVERALL CONVERSION EFFICIENCY; OXIDATION REDUCTION POTENTIAL; PHOTOVOLTAIC PERFORMANCE; PRIORITY JOURNAL; SHORT CIRCUIT CURRENT; SOLAR CELL; SOLAR RADIATION; STEREOSPECIFICITY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY CALCULATION; ULTRAVIOLET SPECTROPHOTOMETRY; CHEMISTRY; SOLAR ENERGY;

COLORING AGENTS; INDOLES; MODELS, MOLECULAR; ORGANOMETALLIC COMPOUNDS; SOLAR ENERGY;

EID: 84928482318     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2015.04.005     Document Type: Article

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