Theoretical studies of electronic structure and hole drift mobility of host hole transporting material 4,4′-N,N′-dicarbazol-biphenyl

Synthetic Metals

Volumn 160, Issue 19-20, 2010, Pages 2104-2108

  Gao, Hong Ze ^a  

^a CHINESE PEOPLE S ARMED POLICE FORCE ACADEMY   (China)

Author keywords

4,4 Dicarbazole 1,1 biphenyl; Ab initio; Electronic transition mechanism; Hole transport; TD DFT

Indexed keywords

AB INITIO; COMMONLY USED; CONFIGURATION INTERACTIONS; DFT-B3LYP; ELECTRONIC COUPLING; ELECTRONIC TRANSITION; EMISSION WAVELENGTH; HIGHEST OCCUPIED MOLECULAR ORBITAL; HOLE DRIFT-MOBILITY; HOLE TRANSPORT MATERIALS; HOLE TRANSPORTS; HOLE-TRANSPORTING MATERIALS; MARCUS THEORY; REORGANIZATION ENERGIES; SINGLET EXCITED STATE; SPATIAL EXTENT; STRUCTURAL CHARACTER; TD-B3LYP; TD-DFT; THEORETICAL STUDY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRANSPORT MODELS;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EXCITED STATES; ION EXCHANGE; MOLECULAR ORBITALS; POLYCYCLIC AROMATIC HYDROCARBONS;

HOLE MOBILITY;

EID: 77957682826     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2010.07.039     Document Type: Article

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