Density functional study of the electronic and optical properties of fluorene-thieno[3,2-b]thiophene-based conjugated copolymers

Molecular Simulation

Volumn 35, Issue 9, 2009, Pages 737-747

  Gong, Zhijun ^a,b   Lagowski, Jolanta B ^b  

^a YANGTZE UNIVERSITY   (China)

^b MEMORIAL UNIVERSITY OF NEWFOUNDLAND   (Canada)

Author keywords

Band gaps; DFT; Excitation energies; Fluorene; Thiophene

Indexed keywords

BAND GAPS; BITHIOPHENES; CONJUGATED COPOLYMERS; DENSITY-FUNCTIONAL STUDY; DFT; EXPERIMENTAL VALUES; FLUORENE; FLUORENES; HOMO-LUMO GAPS; INFINITE CHAINS; IONISATION POTENTIAL; LINEAR EXTRAPOLATION; QUANTUM MECHANICAL; TIME-DEPENDENT DFT;

APPROXIMATION THEORY; CHAIN LENGTH; COPOLYMERIZATION; COPOLYMERS; ELECTRONIC PROPERTIES; ENERGY GAP; EXCITATION ENERGY; EXTRAPOLATION; OLIGOMERS; OPTICAL PROPERTIES; ORGANIC POLYMERS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; THIOPHENE;

DENSITY FUNCTIONAL THEORY;

EID: 70449568988     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020902833079     Document Type: Article

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