Theoretical studies on charge transport character and optional properties of Alq3 and its difluorinated derivatives

Synthetic Metals

Volumn 159, Issue 5-6, 2009, Pages 385-390

  Dong, Shihong ^a   Wang, Wenliang ^a   Yin, Shiwei ^a   Li, Chunying ^b   Lu, Jian ^b  

^a SHAANXI NORMAL UNIVERSITY   (China)

^b XI'AN MODERN CHEMISTRY RESEARCH INSTITUTE   (China)

Author keywords

Difluorination; Electron affinity; Electron injection; Reorganization energy; Spectrum shift; TD DFT

Indexed keywords

ALUMINA; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRON INJECTION; ELECTRONIC STRUCTURE; ELECTRONS; EMISSION SPECTROSCOPY; EXCITED STATES; MOLECULAR ORBITALS; PROBABILITY DENSITY FUNCTION;

AB INITIO AND DFT; BLUE LUMINESCENCES; BLUE SHIFTS; CHARGE TRANSPORTS; DIFLUORINATION; ELECTRON CARRIERS; ELECTRON-WITHDRAWING SUBSTITUENTS; EMISSION SPECTRUMS; ENERGY LEVELS; EXCITED-STATE GEOMETRIES; LOWEST UN-OCCUPIED MOLECULAR ORBITALS; METAL ELECTRODES; POTENTIAL MATERIALS; RED SHIFTS; REORGANIZATION ENERGY; SPECTROSCOPIC PROPERTIES; SPECTRUM SHIFT; TD-DFT; THEORETICAL STUDIES; TIME-DEPENDENT DENSITY FUNCTIONAL THEORIES; TRIS(8HYDROXYQUINOLINE) ALUMINUM;

ELECTRON AFFINITY;

EID: 63549111092     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2008.10.012     Document Type: Article

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