尹世伟 - 陕西师范大学 - 化学化工学院

研究领域

1）有机光电材料的电子过程2）光合作用反应单元中的能量、电子转移过程研究兴趣主要是有机电子过程的理论研究。目前主要主要集中两个研究方向：(1) 有机光电功能材料的电子迁移过程理论研究，发展理论方法预测有机功能材料电荷载流子迁移率 (2) 有机材料的分子和聚集体电子光谱的理论模拟工作。参与国家自然科学重点项目一项（子课题负责人），主持国家自然科学基金面上项目一项。

近期论文

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Yin, Shiwei*, Li, Lanlan, Yang, Yongmei, and Reimers, Jeffrey R., "Challenges for the Accurate Simulation of Anisotropic Charge Mobilities through Organic Molecular Crystals: The β-Phase of mer-Tris(8-hydroxyquinolinato)aluminum(III) (Alq3) Crystal". J. Phys. Chem. C, 2012..116(28):p. 14826-14836. Li, Lanlan, Yang, Jiayu, Cui, Miaomiao, and Yin, Shiwei*, "Exciton coupling in photosystem I reaction center". 中国科学：化学, 2012. 42(8):p. 1217-1225 Yin, Shiwei*, Yang, Yongmei, and Lv, Yanfeng, "Theoretical study the trap and carrier-density dependent electron mobility in pentacene ab-plane by the steady master equation". Synth. Met., 2010. 160(11-12):p. 1241-1246. Yang, Yongmei, Wang, Xinhui, and Yin, Shiwei*, "A Simple way to calculate the intermolecular electron transfer integral-- the isolated orbital method". 中国科学：化学, 2010. 40(5):p. 501-509. Yin, Shiwei* and Lv, Yanfeng, "Modeling hole and electron mobilities in pentacene ab-plane". Org. Electron., 2008. 9(5):p. 852-858. Yin, Shiwei, Dahlbom, Mats G., Canfield, Peter J., Hush, Noel S., Kobayashi, Rika, and Reimers, Jeffrey R.*, "Assignment of the Qy Absorption Spectrum of Photosystem-I from Thermosynechococcus elongatus Based on CAM-B3LYP Calculations at the PW91-Optimized Protein Structure". J. Phys. Chem. B, 2007. 111(33):p. 9923-9930. Yin, Shiwei, Yi, Yuanping, Li, Qingxu, Yu, Gui, Liu, Yunqi, and Shuai, Zhigang*, "Balanced Carrier Transports of Electrons and Holes in Silole-Based Compounds-A Theoretical Study". J. Phys. Chem. A, 2006. 110(22):p. 7138-7143. Yin, Shiwei, Peng, Qian, Shuai, Z.*, Fang, Weihai*, Wang, Yan-Hua, and Luo, Yi*, "Aggregation-enhanced luminescence and vibronic coupling of silole molecules from first principles". Phys. Rev. B, 2006. 73(20):p. 205409/1-205409/5. Yu, Gui, Yin, Shiwei, Liu, Yunqi*, Chen, Jiangshan, Xu, Xinjun, Sun, Xiaobo, Ma, Dongge, Zhan, Xiaowei, Peng, Qian, Shuai, Zhigang*, Tang, Benzhong, Zhu, Daoben, Fang, Weihai, and Luo, Yi, "Structures, Electronic States, Photoluminescence, and Carrier Transport Properties of 1,1-Disubstituted 2,3,4,5-Tetraphenylsiloles". J. Am. Chem. Soc., 2005.127(17):p. 6335-6346.