Tuning the LUMO level of the acceptor to increase the open-circuit voltage of polymer-fullerene solar cells: A quantum chemical study

Solar Energy Materials and Solar Cells

Volumn 92, Issue 10, 2008, Pages 1192-1198

  Morvillo, P ^a   Bobeico, E ^a  

^a ENEA   (Italy)

Author keywords

Bulk heterojunction; Density functional theory; Fullerene; Open circuit voltage; Organic solar cells; Semiempirical methods

Indexed keywords

AROMATIC HYDROCARBONS; CALCULATIONS; DERIVATIVES; DIRECT ENERGY CONVERSION; FULLERENES; HETEROJUNCTIONS; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULES; NANOSTRUCTURES; PHOTOVOLTAIC CELLS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; ROCKETS; SOLAR CELLS; SOLAR ENERGY; SOLAR EQUIPMENT;

ACCEPTOR MOLECULES; BULK HETEROJUNCTION SOLAR CELLS; DENSITY-FUNCTIONAL (DF); DENSITY-FUNCTIONAL THEORY (DFT); ELECTRON ACCEPTORS; ELSEVIER (CO); ENERGY LEVELS; FRONTIER ORBITALS; FULLERENE DERIVATIVES; LOWEST UN OCCUPIED MOLECULAR ORBITAL (LUMO); MDMO-PPV; METHOXY; MOLECULAR ORBITAL (MO) CALCULATIONS; OPEN-CIRCUIT VOLTAGE (OCV); PHENYLENEVINYLENE (A PPE PPV); PHOTOVOLTAIC DEVICES; POLYMER-FULLERENE; QUANTUM CHEMICAL STUDIES; REDUCTION POTENTIALS; SEMI-EMPIRICAL; SEMIEMPIRICAL PM3; SINGLE-POINT CALCULATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 47249146849     PISSN: 09270248     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solmat.2008.04.010     Document Type: Article

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