RSC Advances

An international journal to further the chemical sciences

Paper

Accurate description of hybridized local and charge-transfer excited-state in donor–acceptor molecules using density functional theory

Y. Y. Pan,*ab   J. Huang,a   Z. M. Wang,a   S. T. Zhang,b   D. W. Yu,a   B. Yang*b and   Y. G. Mac  
*
Corresponding authors
a
School of Petrochemical Engineering, Shenyang University of Technology, 30 Guanghua Street, Liaoyang, P. R. China
E-mail: pyy39518768@163.com
Fax: +86 419 5319409
Tel: +86 419 5319409
b
State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun, P. R. China
E-mail: yangbing@jlu.edu.cn
Fax: +86 431 85168502
Tel: +86 431 85193421
c
State Key Laboratory of Luminescent Materials and Devices, Institute of Polymer Optoelectronic Materials and Devices, South China University of Technology, Guangzhou, P. R. China
RSC Adv., 2016,6, 108404-108410

DOI: 10.1039/C6RA22267F
Received 06 Sep 2016, Accepted 19 Oct 2016
First published online 19 Oct 2016
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