赵显

山东大学理学教授

赵显，男，1970年6月生，山东莘县人，理学博士，教授，2006年6月被聘为材料学专业博士生导师。

人物经历

赵显，男，1970年6月生，山东莘县人，理学博士，教授，2003年09月晋升教授，2006年6月被聘为材料学专业博士生导师。现任山东大学学术研究部常务副部长兼科研平台建设办公室主任，山东大学晶体材料国家重点实验室副主任。

1987.09－1991.07 山东大学光学系本科，获学士学位。

1991.09－1994.07 山东大学化学系理论化学专业硕士研究生，获理学硕士学位。

1994.07－1995.09 山东师范大学物理系工作。

1995.09－1998.07 山东大学化学院理论化学专业，攻读博士学位，师从邓从豪院士。

1998.07－2000.08 山东大学晶体所工程与材料科学流动站做博士后，合作导师蒋民华院士。

2000年08月博士后出站，留山东大学晶体材料研究所工作。

主讲课程

分子模拟，前沿讲座。

研究方向

主要从事功能材料的结构设计、计算模拟及制备方面的应用基础研究。

(1) 非线性光学材料：新型有机和高分子二阶非线性光学材料的设计；多光子吸收与圆二色光学性质及其电子振动光谱；

(2) 功能晶态材料：晶态材料功能基元（电子、原子、离子、分子、基团和畴结构与相结构等）间的相互作用方式与其性能（包括非线性、激光、发光、电、磁及复合功能）的关系；

(3) 半导体材料：半导体材料的修饰、组装对其光/电/磁性质调控机制；

(4) 纳米材料：无机化合物纳米材料的可控制备、形貌演变及其相变特性；纳米材料的表面修饰及其生物兼容性和选择性。

主要贡献

科研项目

(1) 强双光子吸收的有机半有机非线性光学材料的分子设计和组装(973项目TG1998061402)，1998.09-2003.08，位次：骨干参加（4）

(2) 纳米催化的三维周期性微结构制备新技术的探索研究，山东省中青年科学家奖励基金，2001.01-2003.12，位次：1；6万元。

(3) 立方氮化硼合成路线及反应机理探索研究(2005CCA00900)，973重大基础研究前期专项，2006.01-2007.12，位次：1；55万元。

(4) 多光子吸收过程的理论研究(20473046/B030202)，国家自然科学基金，2005.01-2007.12，位次：1；20万元。

(5) B-C-N结构与性质的理论研究(20070422060)，教育部高校博士点基金，2008.01-2010.12，位次：1；6万元。

(6) B-C-N化合物结构与性质的理论研究(Y2007B08)，山东省自然科学基金，2008.01-2010.12，位次：1；6万元。

(7) 无机半导体纳米晶热力学性质及其相变特性的理论和实验研究（50802056），国家自然科学基金/青年科学基金项目， 2009.01-2011.12，位次：2。

合作交流

现与瑞典皇家工学院理论化学系罗毅教授，新加坡南洋理工大学生命学院慕宇光教授合作培养博士研究生数名。

主要论著

Honggang Sun, Weiliu Fan*, Yanlu Li, Xiufeng Cheng, Pan Li, and Xian Zhao*, Origin of the Visible Photocatalytic Activity of N-doped In2O3: A Quantum Mechanical Study,J. Phys. Chem. C(2010, Accepted, proofed).

Yanlu Li, Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, Xian Zhao*, and Minhua Jiang, First-principles study of the electronic structure, optical properties, and lattice dynamics of BC2N, J. Phys. Chem. C(ASAP, DOI:10.1021/jp9104739).

Yanlu Li, Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, Xian Zhao*, Jingcheng Hao, and Minhua Jiang, Optical Properties of the High-Pressure Phases of SnO2: First-Principles Calculation, J. Phys. Chem. A 2010, 114:1052.

Yanlu Li, Weiliu Fan*, Honggang Sun, Xiufeng Cheng, Pan Li, andXian Zhao*, First-principles study of the electronic, optical, and lattice dynamics properties of LiInSe2 polymorph J. Appl. Phys.2009, 106: 033704.

Yufen Zhang,Xian Zhao*, and Yuguang Mu, Conformational Transition Map of an RNA GCAA Tetraloop Explored by Replica-Exchange Molecular Dynamics Simulation, J. Chem. Theory Comput.2009, 5, 1146-1154.

Zhiqiang Li, Yuxiang Bu, and Xian Zhao*, Proton Transfer Isomerization of Pyrazole in the Ground State: σ vs π Mechanism and Water Assisting Effect, Chinese J. Struc. Chem.2008, 27, 1475-1486.

Xueqin Sun, Run Long, Xiufeng Cheng, Xian Zhao* Ying Dai*, and Baibiao Huang, Structural, Electronic, and Optical Properties of N-doped SnO2, J. Phys. Chem. C2008, 112, 9861-9864.

Yufen Zhang, Xian Zhao*, Xiufeng Cheng, Yuguang Mu, Density functional study on electronic properties of P-doped spinel silicon carbon nitride, Journal of Solid State Chemistry,2008, 181, 2113-2116.

Na Lin, Lara Ferrighi, Xian Zhao, Kenneth Ruud, Antonio Rizzo, and Yi Luo, Solvent effects on the three-photon absorption of a symmetric charge-transfer molecule,J. Phys. Chem. B2008, 112, 4703-4710.

Na Lin, Fabrizio Santoro, Xian Zhao, Antonio Rizzo, and Vincenzo Barone, Vibronically Resolved Electronic Circular Dichroism Spectra of (R)-(+)-3-Methylcyclopentanone: A Theoretical Study, J. Phys. Chem. A2008, 112, 12401-12411.

Na Lin, Yi Luo, Fabrizio Santoro, Xian Zhao, and Antonio Rizzo, Vibronically-induced change in the chiral response of molecules revealed by electronic circular dichroism spectroscopy, Chem. Phys. Lett.2008, 464, 144-149.

Fancui Meng, Faping Wang, Xian Zhao, and Abraham F. Jalbout, Guanine tetrad interacting with divalent metal ions (M=Fe2+, Co2+, Ni2+, Cu2+ and Zn2+): A density functional study, Journal of Molecular Structure: THEOCHEM,2008, 854, 26-30.

Fancui Meng, and Xian Zhao, Theoretical study of inosine tetrad and octamer interacting with alkali metal ions, Journal of Molecular Structure: THEOCHEM,2008, 869, 94-97.

Fancui Meng, Lixin Sun, Huanjie Wang, and Xian Zhao, Theoretical study of the hydrolysis of a model carbapenem: 1-aza-bicyclo[3,2,1]hept-2-ent-7-one, Journal of Molecular Structure: THEOCHEM,2008, 851, 335-341.

Weiliu Fan, Xinyu Song, Yuxiang Bu, Sixiu Sun, and Xian Zhao*, Selective Synthesis and Luminescent Properties of Monazite- and Zircon-type LaVO4:Ln (Ln = Eu, Sm, Dy) Nanocrystals. CrystalGrowth&Design, 2007, 7: 2361-2366.

Weiliu Fan, Xinyu Song, Sixiu Sun, and Xian Zhao*, Microemulsion-Mediated Hydrothermal Synthesis and Characterization of Zircon-type LaVO4 Nanowires. Journal of Solid State Chemistry,2007, 180: 284-290.

Weiliu Fan, Xinyu Song, Sixiu Sun, and Xian Zhao*, Hydrothermal formation and characterization of magnesium oxychloride nanowires. Journal of Crystal Growth,2007, 305: 167-174.

Na Lin, Xian Zhao*, Antonio Rizzo, Yi Luo, Vibronic induced one- and two-photon absorption in a charge-transfer stilbene derivate. TheJournal of Chemical Physics,2007, 126:244509-244516.

Na Lin, Xian Zhao*, Xiufeng Cheng, Minhua Jiang, Quantum chemical investigation on one- and two-photon absorption properties for a series of donor-π-acceptor-type compounds with trivalent boron as an acceptor. Journal of Molecular Structure: THEOCHEM, 2007, 820: 98-106.

Weiliu Fan, Xinyu Song, Yuxiang Bu, Sixiu Sun*, and Xian Zhao*, Selected-Control Hydrothermal Synthesis and Formation Mechanism of Monazite- and Zircon-type LaVO4 Nanocrystals. J. Phys. Chem. B, 2006, 110, 23247-23254.

Li Liang, Zhao Xian, Sun Xun, Sun Xueqin, Sulfate may play an important role in the wavelength dependence of laser induced damage. Optics Express, 2006, 14: 12196-12198.

Shu-Lan Zhou, Xian Zhao, Xue-Qin sun, Xiu-Feng Cheng, Theoretical studies of one- and two-photon absorption properties for symmetric molecules based on bis(stilbene)diethylene. Journal of Theoretical and Computational Chemistry, 2006, 5: 535-542.

Na Lin, Xian Zhaoet al., Theoretical study of one-,two-,and three-photon absorption properties for a series of Y-shaped molecules. J. Chem. Phys., 2006, 124: 024704.

Xiaojun Liu, Haidong Ju, Xian Zhao, et al., Study of electronic and spectroscopic properties on a newly synthesized red fluorescent material. J. Chem. Phys., 2006, 124: 174711.

Xiaojun Liu, Haidong Ju, Xian Zhao, et al., Structure and electronic properties for a newly synthesized red fluorescent material. Journal of Molecular Structure: THEOCHEM, 2006,770: 73-77.

Xiaojun Liu, Wensheng Bian, Xian Zhao, et al., Potential energy surface intersections in the C(1D)H2 reactive system. J. Chem. Phys., 2006, 125: 74306.

Xian Zhao, Daren Guan, et al., A dynamical Lie algebraic treatment for the optical nonlinearity of disubstituted benzenes. Chemical Physics, 2003, 287: 21-32.

Xian Zhao, Daren Guan, et al., Dynamic Lie algebraic formulation of second-order optical nonlinearity for substitute benzenes. International Journal of Quantum Chemistry, 2003, 93: 335-343.

Xian Zhao, Daren Guan, et al., A dynamical Lie algebraic approach to the second order polarizability of the substituted benzenes, Journal of Molecular Structure: Theochem., 2003, 623: 289-296.

张玉芬，程秀凤，赵显*，C和As共掺杂的γ-Si3N4电子性质的密度泛函理论研究，高等学校化学学报，2009, 30, 1-4.

孙学勤，赵显*，周树兰，李百东，程秀凤. 分枝结构对以N为耦合中心的多分枝分子的双光子吸收性质的影响. 中国科学B辑: 化学, 2007, 37, 6:564-568.

周树兰，赵显*，孙学勤，程秀凤，取代基对二噻吩并噻吩衍生物的双光子吸收性质的影响，高等化学学报，2006, 27: 1949-1952.

周树兰，赵显*，孙学勤，程秀凤，有机分子的共轭体系长度对双光子吸收性质的影响, 四川大学学报，2005 增刊 2: 82-86.

赵显，关大任，易希璋，吴爱玲，于晓强，蒋民华，用动力学李代数方法研究纳米结构的准一维系统的电子态，高等化学学报，2002, 23: 51-56.

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