Theoretical characterization and design of small molecule donor material containing naphthodithiophene central unit for efficient organic solar cells

Journal of Computational Chemistry

Volumn 34, Issue 19, 2013, Pages 1611-1619

  Duan, Yu Ai ^a   Geng, Yun ^a   Li, Hai Bin ^a   Jin, Jun Ling ^a   Wu, Yong ^a   Su, Zhong Min ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

density functional theory; naphthodithiophene; organic solar cell; small molecule; time dependent density functional theory

Indexed keywords

FRONTIER MOLECULAR ORBITALS; HETEROJUNCTION SOLAR CELLS; INTRA-MOLECULAR CHARGE TRANSFER; NAPHTHODITHIOPHENE; ORGANIC SOLAR CELL; SMALL MOLECULES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRANSITION DENSITY MATRIX;

ABSORPTION SPECTROSCOPY; BINDING ENERGY; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EXCITONS; HETEROJUNCTIONS; MOLECULAR ORBITALS; MOLECULES; OPEN CIRCUIT VOLTAGE; THIOPHENE; TRANSPORT PROPERTIES;

SOLAR CELLS;

EID: 84879088026     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23298     Document Type: Article

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