Toward Designing Efficient Multifunctional Bipolar Molecules: DFT Study of Hole and Electron Mobilities of 1,3,4-Oxadiazole Derivatives

Journal of Physical Chemistry C

Volumn 119, Issue 22, 2015, Pages 12251-12261

  Priyanka, B ^a   Anusha, V ^a   Bhanuprakash, K ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; ELECTRON MOBILITY; ELECTRON TRANSPORT PROPERTIES; HOLE MOBILITY; LIGHT EMITTING DIODES; MOLECULAR ORBITALS; ORGANIC LIGHT EMITTING DIODES (OLED);

1 , 3 , 4-OXADIAZOLE; 1 ,3 ,4-OXADIAZOLE MOIETY; CAMBRIDGE STRUCTURAL DATABASES; DENSITY FUNCTIONAL THEORY METHODS; ELECTRON TRANSPORT; OXADIAZOLE DERIVATIVES; REORGANIZATION ENERGIES; TRANSFER INTEGRAL;

MOLECULES;

EID: 84930959193     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b04504     Document Type: Article

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