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有机导电材料、有机太阳能电池、有机电致发光材料的理论模拟

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Zhang Luqiong, Tian Li, Li,Ming He Rongxing and * Shen Wei A theoretical study on tuning the electronic structures and photophysical properties of newly designed platinum(II) complexes by adding substituents on functionalized ligands as highly efficient OLED emitters, Dalton Transaction, 2014, DOI: 10.1039/c3dt53209g Xiao Rui Liu、Ming Li、Rong Xing He、* Shen Wei ,Theoretical investigations on fluorinated and cyanocopolymers for improvements of photovoltaic performances ,Physical Chemistry Chemical Physics, 16, 311-323, 2014 Deng, Lidan、*Shen, Wei、Xie, Xiaohua、Jiang, Liusheng、Liu, Binyao、Li, Ming ,Molecular designing and DFT investigation of novel alternating donor-acceptor dibenzo[b,d]thiophen-based systems: from monomer topolymer ,Structural Chemistry, 23(1), 97-106, 2012 邓理丹、李明、解晓华、刘彬瑶、*申伟,新型低带隙聚合物结构和性质的理论研究,中国科学:化学, 07, 1066-1108, 2012 刘小锐、陈春香、何荣幸、*申伟、李明,两种异质结太阳能电池聚合物供体材料的设计与理论性质,化学学报, 22, 2365-2371, 2012

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