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主要从事应用量子化学和功能材料化学两个方向的基础理论研究与实验研究。

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Geng hua, Peng qian, Wang lin jun, Li hai jiao, Liao yi, Ma zhi ying, Shuai zhi gang*, Toward Quantitative Prediction of Charge Mobility in Organic Semiconductors: Tunneling Enabled Hopping Model, Adv. Mater. 2012, 24,3568-3572. Shan guo gang, Li Hai Bin, Cao Hong Tal, Zhu Dong Xia, Li Peng, Su Zhong Min*, Y Liao*, Reversible piezochromic behavior of two new cationic iridium(III) complexes Chem. Commun., 2012, 48, 2000-2002. (IF=6.169)highlighted by “Noteworthy Chemistry” Shan guo gang, Li Hia Bin, Zhu Dong Xia, Su Zhong Min*, Liao Yi*, Intramolecular π-stacking in cationic iridium(III) complexes with a triazole–pyridine type ancillary ligand: synthesis, photophysics, electrochemistry properties and piezochromic behavior, J. Mater. Chem., 2012,22, 12736-12744 Shan guo gang, Li Hai Bin, Qin Jun Sheng, Zhu Dong Xia, Y Liao*, Su Zhong Min*, Piezochromic luminescent (PCL) behavior and aggregation-induced emission (AIE) property of a new cationic iridium (III) complexes Dalton. Trans., 2012, 41, 9590-9593. Shan guo gang, Zhang Ling Yu, Li Hai Bin, Wang Shuang, Zhu Dong Xia, Li Peng, Wang Chun Gang, Su Zhong Min*, Yi Liao*, A cationic iridium(III) complex showing aggregation-induced phosphorescent emission (AIPE) in the solid state: synthesis, characterization and properties, Dalton. Trans., 2012, 41, 523-530. Xiao-Dan Tang, Yi Liao*, Hong-Ze Gao, Yun Geng, Zhong-Min Su*, Fascinating effect of dehydrogenation on the transport properties of N-heteropentacenes: transformation from p- to n-type semiconductor, J. Mater. Chem., 2012, 22, 18181-18191. Xiao-Dan Tang, Yi Liao*, Hua Geng, Zhi-Gang Shuai*, Theoretical Study of Bridging Effect on the Charge Carrier Transport Properties of Cyclooctatetrathiophene and Its Derivatives, J. Mater. Chem., 2012, 22, 6907-6918. Qing-Xiu Wu, Yun Geng, Yi Liao*, Xiao-Dan Tang, Guo-Chun Yang, Zhong-Min Su, Theoretical studies of the effect of electron-withdrawing dicyanovinyl group on the electronic and charge transport properties of fluorene-thiophene oligomers. Theor. Chem. Acc, 2012, 131, 1121. Jie Wu, Yi Liao*, Shui-Xing Wu, Hai-Bin Li, Zhong-Min Su, Theoretical study on phenylcarbazole-based systems: high-efficiency blue-host materials with ambipolar semiconductor behavior, Phy. Chem. Chem. Phys.2012, 14, 1685-1693 Guo Gang Shan, Hai Bin Li, Zhong Cheng Mu, Dong Xia Zhu, Zhong Min Su,* Yi Liao,* Synthesis of cationic iridium(III) complexes with high quantum yield via enhancing the steric hindrance of ligands, Journal of Organometallic Chemistry, 2012, 702, 27-35. Guo Gang Shan, Hai Bin Li, Hong Tao Cao, Dong Xia Zhu, Zhong Min Su,* Yi Liao,* Synthesis, structure and photophysical properties of cationic Ir(III) complexes with functionalized 1,10-phenanthroline ancillary ligands, Journal of Organometallic Chemistry, 2012, 713, 20-26. Song Song Bao, Yi Liao, Yan Hui Su, Xu Liang, Feng Chun Hu, Zhihu Sun, Li-Min Zheng,* Shiqiang Wei,* Roger Alberto, Yi Zhi Li, and Jing Ma*, Tuning the Spin State of Cobalt in a Co–La Heterometallic Complex through Controllable Coordination Sphere of La, Angew. Chem. Int. Ed. 2011, 50(24)m,5504-5508 Guo Gang Shan, Dong Xia Zhu, Hai Bin Li, Peng Li, Zhong Min Su, Yi Liao*, Creation of cationic iridium(III) complexes with aggregation-induced phosphorescent emission (AIPE) properties by increasing rotation groups on carbazole peripheries. Dalton Trans. 2011, 40, 2947-2953. Yun Geng, Shuixing Wu, Haibin Li, Xiaodan Tang, Yong Wu, Yi Liao*, Zhongmin Su*, A theoretical discussion on the relationships among molecular packings, intermolecular interactions, and electron transport properties for naphthalene tetracarboxylic diimides derivatives, J. Mater. Chem., 2011, 21, 15558. Yun Geng, Haibin Li, Shuixing Wu, Yuai Duan, Zhongmin Su*, Yi Liao*, The influence of thienyl-S,S-dioxidation on the photoluminescence and charge transport properties of dithienothiophenes: a theoretical study, Theor. Chem. Acc, 2011, 129: 247-255. Jun-Ling Jin, Shui-Xing Wu, Yun Geng, Shuang-Yang Yang, Jie Wu, Yi Liao*, Zhong-Min Su, Theoretical Study on Photophysical Properties of Novel Bis(BF2)-2,2’-Bidipyrrins Dyes: Effect of Variation in Monomer Structure, Intern. J. Quantum Chem. 2012,112,440-452 Jie Wu, Shui-Xing Wu, Yun Geng, Guo-Chun Yang, Shabbir Muhammad, Jun-Ling Jin, Yi Liao* Zhong-Min Su*, Theoretical Study on dithieno[3,2-b:2’,3’-d] phosphole derivatives: High-efficiency Blue-emitting Materials with Ambipolar Semiconductor Behavior. Theor. Chem. Acc. 2010, 127, 419-427 Yan Hong Xu, Ya Qian Lan, Kui Zhan Shao, Zhong Min Su, Yi Liao*, Auxiliary Aromatic-acid Effect on the Structures of a Series of ZnII Coordination Polymers: Syntheses, Crystal Structures, and Photoluminescence Properties. Journal of Solid State Chemistry, 2010, 183, 849-857. Yan Hong Xu, Ya Qian Lan, Shui Xing Wu, Kui Zhan Shao, Zhong Min Su, Yi Liao*, Unprecedented interweaving of Single-Helical Chains into a Chrial Metal-organic, CrystEngComm, 2009, 11, 1711-1715. Yan Hong Xu, Ya Qian Lan, Ya Hui Zhao, Dong Ying Du, Guang Juan Xu, Kui Zhan Shao, Zhong Min Su, Yi Liao*, Two Novel Supramolecular isomers based on 2,2’-biimidazole Derivative and Zinc Ions: Syntheses, Structures and Luminescent Properties, Inorganic Chemistry Communications, 2009, 12, 169-172 Yi Liao, Jing. Ma*, Stacking and Solvent effects on the Electronic and Optical Properties of Alkynylgold Triphenylphosphine Aggregation: A Theoretical Study. Organometallics 2008, 27, 4636-4648. Yi Liao, Ji-Kang Feng*, Li Yang, Ai-Min Ren, Theoretical Study on the Optoelectronic Properties of Electron-withdrawing Substituted Diethynylfluorenyl Gold(I) Complexes J. Phy. Chem. A, 2006, 110, 13036-13044. Yi Liao, Ji-Kang Feng*, Li Yang, Ai-Min Ren, Hong-Xing Zhang, Theoretical Study on the Electronic Structure and Optical Properties of Mercury-containing Diethynylfluorene Monomer, Oligomer and Polymer. Organometallics 2005, 24, 385-394. Yi Liao, Ji-Kang Feng*, Li Yang, Ai-Min Ren, Effect of Substitution on the Structures and Optoelectronic Properties of Mercury-containing Diethynylfluorene J. Theor. Comput. Chem.2006, 5, 401-409. Yi Liao, Zhong-Min Su*, Yu-He Kan, Shu-Mei Yue, Jian-Fang Ma, Ji-Hua Yang, Effect of Water on Zinc (II), Cadmium (II) Complexes with Pyridylimidazole: Theoretical Study of Stability and Electronic Spectrum. Intern. J. Quantum Chem. 2006, 106, 490–500.

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