Orbital gap predictions for rational design of organic photovoltaic materials

Organic Electronics

Volumn 15, Issue 7, 2014, Pages 1509-1520

  Phillips, Heidi ^b   Zheng, Zilong ^a   Geva, Eitan ^b   Dunietz, Barry D ^a  

^a KENT STATE UNIVERSITY   (United States)

^b UNIVERSITY OF MICHIGAN   (United States)

Author keywords

Density functional theory; Electron affinity; Fundamental gap; Ionization potential; Optimally tuned range separated hybrid functional; Organic photovoltaic

Indexed keywords

CONTINUUM MECHANICS; DESIGN FOR TESTABILITY; ELECTRON AFFINITY; GASES; IONIZATION POTENTIAL; ISOMERS; THIN FILMS;

ELECTROSTATIC ENVIRONMENTS; FRONTIER ORBITAL ENERGIES; FUNDAMENTAL GAP; HYBRID FUNCTIONAL; ORGANIC PHOTOVOLTAIC MATERIALS; ORGANIC PHOTOVOLTAICS; POLARIZABLE CONTINUUM MODEL; THIN-FILM MEASUREMENT;

DENSITY FUNCTIONAL THEORY;

EID: 84900001201     PISSN: 15661199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.orgel.2014.03.040     Document Type: Article

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