Density functional theory study on organic semiconductor for field effect transistors: Symmetrical and unsymmetrical porphyrazine derivatives with annulated 1,2,5-thiadiazole and 1,4-diamyloxybenzene moieties

Science in China, Series B: Chemistry

Volumn 52, Issue 6, 2009, Pages 840-848

  Cai, Xue ^a,b,c   Zhang, Yuexing ^c   Qi, Dongdong ^c   Jiang, Jianzhuang ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING   (China)

^b MUDANJIANG NORMAL UNIVERSITY   (China)

^c SHANDONG UNIVERSITY   (China)

Author keywords

Density functional theory; Organic field effect transistor; Porphyrazine; Reorganization energy

Indexed keywords

BENZENE RING; CHARGE TRANSPORT; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON TRANSFER; ELECTRONIC COUPLING; HIGHEST OCCUPIED MOLECULAR ORBITAL; HOLE TRANSFER; IONIZATION ENERGIES; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MARCUS ELECTRON TRANSFER THEORY; ORGANIC FIELD EFFECT TRANSISTOR; ORGANIC FIELD-EFFECT TRANSISTORS; ORGANIC SEMICONDUCTOR; PORPHYRAZINE; REORGANIZATION ENERGIES; REORGANIZATION ENERGY; TETRAKIS; THIADIAZOLE; UNSYMMETRICAL;

BENZENE; CRYSTAL STRUCTURE; ELECTRON AFFINITY; ELECTRON MULTIPLIERS; ELECTRON TRANSITIONS; FIELD EFFECT TRANSISTORS; HOLE MOBILITY; MOLECULAR MODELING; MOLECULAR ORBITALS; OPTICAL FILTERS; SEMICONDUCTING ORGANIC COMPOUNDS; SIMULATED ANNEALING; STEEL BEAMS AND GIRDERS;

DENSITY FUNCTIONAL THEORY;

EID: 65949106148     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-009-0127-7     Document Type: Article

References (54)

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