职称：教授、硕士生导师

邮箱：linna@sdu.edu.cn

研究领域：量子化学；光电功能材料设计与理论模拟

个人简历

林娜，山东大学晶体材料研究所教授，1981年7月出生于山东省泰安市。2003年，获得山东师范大学物理学专业本科学位；2009年，先后获得瑞典皇家工学院理论化学专业博士学位及山东大学晶体材料研究所材料物理与化学专业博士学位，博士论文获得瑞典化学会最佳博士论文奖（Inga Fischer-Hjalmars Award）及山东省优秀博士学位论文。2009年7月起，进入山东大学晶体材料国家重点实验室工作，主要从事光电功能材料的理论模拟，包括非线性光学分子功能材料若干重要光谱特性的第一性原理表征、二维纳米光电功能材料电子输运特性的第一性原理研究、新型宽禁带半导体氧化镓有效p型掺杂的理论研究等。获得2010年度教育部高等学校优秀成果自然科学奖二等奖（排名第三）。主持973项目子课题、国家自然科学基金及山东省自然科学基金等科研项目。已发表SCI论文50余篇。

学习与工作经历

2018./08—2021/07，加拿大卡尔加里大学化学系，访问学者，合作导师：Peter Kusalik教授

2015/09—至今，山东大学晶体材料研究所，教授

2010/01—2013/01，挪威特罗姆瑟大学化学系，博士后，合作导师：Kenneth Ruud教授

2009/07—2015/08，山东大学晶体材料研究所，讲师

2003/09-2009/06，山东大学，晶体材料研究所，博士，导师：赵显教授

2006/09-2009/06，瑞典皇家工学院，理论化学系，博士，导师：罗毅教授，Antonio Rizzo教授

1999/09-2003/06，山东师范大学，物理系，学士

代表性论文、论著

1.Tao Wang, Haoyuan Wang, Jian Zhang, Na Lin, Gao Wang, Zhitai Jia, Xian Zhao, Xutang Tao, Design and Directional Growth of (Mg1-xZnx)(Al1-yCry)(2)O-4 Single-Crystal Fibers for High-Sensitivity and High-Temperature Sensing Based on Lattice Doping Engineering and Acoustic Anisotropy, Advanced Functional Materials, 2021, 31, 2103224.

2.Jiasheng Wu, Jiacheng Zou, Xiangxue Zhuge, Zhitai Jia, Na Lin*, Chunxue Yuan*, Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method, CRYSTENGCOMM, 2021, 23, 3152.

3.Haoyuan Wang, Haibei Li*, Na Lin*, Jingjing Wang, Ran Xu, Xian Zhao, Morphology Effects of Graphene Seeds on the Quality of Graphene Nucleation: Quantum Chemical Molecular Dynamics Simulations, Journal of Physical Chemistry C, 2021, 125, 5056.

4.Jin Zhang, Wenxiang Mu, Kaihui Zhang, Jie Sun, Jian Zhang, Na Lin, Xian Zhao, Zhitai Jia, Xutang Tao, Broadband near-infrared Cr3+:beta-Ga2O3 fluorescent single crystal grown by the EFG method, CRYSTENGCOMM, 2020, 22, 7654.

5.Haoyuan Wang, Na Lin*, Ran Xu, Yifei Yu, Xian Zhao*, First Principles Studies of Electronic, Mechanical and Optical Properties of Cr-doped Cubic ZrO2, Chemical Physics, 2020, 539, 110972.

6.Ran Xu, Na Lin*, Zhitai Jia, Yueyang Liu*, Haoyuan Wang, Yifei Yu, Xian Zhao*, First principles study of Schottky barriers at Ga2O3(100)/metal interfaces, RSC Advances, 2020, 10, 14746-14752.

7.Na Zhang, Haoyuan Wang, Yuqing Yin, Tao Wang, Zhitai Jia*, Jian Zhang, Qiangqiang Hu, Na Lin, Xiuwei Fu, Xutang Tao*, Cracking mechanism and spectral properties of Er,Yb:CaGdAlO4 crystals grown by the LHPG method, CRYSTENGCOMM, 2020, 22, 955-960.

8.Yifei Yu, Na Lin*, Haoyuan Wang, Ran Xu, Hao Ren, Xian Zhao*, First principles study of ferroelectric hexagonal compounds RInO3 (R = Dy, Er, and Ho): electronic structure, optical and dielectric properties, RSC Advances, 2020, 10, 4080-4086.

9.Xiaoli Sun, Bingnan Shi, Haoyuan Wang, Na Lin*, Shande Liu, Kejian Yang, Baitao Zhang*, Jingliang He, Optical Properties of 2D 3R Phase Niobium Disulfide and Its Applications as a Saturable Absorber, ADVANCED OPTICAL MATERIALS, 2020, 8, 1901181.

10.Shubo Tian, Wanbing Gong, Wenxing Chen, Na Lin, Youqi Zhu, Quanchen Feng, Qi Xu, Qiang Fu, Chun Chen, Jun Luo, Wensheng Yan, Huijun Zhao, Dingsheng Wang, Yadong Li, ACS CATALYSIS, 2019, 9, 5223-5230.

11.Jun Pan, Shulin Chen, Qiang Fu, Yuanwei Sun, Yuchen Zhang, Na Lin, Peng Gao, Jian Yang*, and Yitai Qian, Layered-Structure SbPO4/Reduced Graphene Oxide: An Advanced Anode Material for Sodium Ion Batteries, ACS NANO, 2018, 12, 12869-12878.

12.Jun Shu, Zhitai Jia, Eugenio Damiano, Haoyuan Wang, Yanru Yin, Na Lin, Xian Zhao, Xinguang Xu, Mauro Tonelli*, Xutang Tao*, Charge compensations of Eu2+ and Oi2− co-exist in Eu3+:CaMoO4 single-crystal fibers grown by the micro-pulling-down method, CRYSTENGCOMM, 2018, 20, 6741-6751.

13.Baoling Tian, Changhang Cheng, Tongtao Yue, Na Lin*, Hao Ren*, Chemical identification of the amyloid peptide aggregation-prone Al(III)-peptide complexes by resonance Raman signatures: A computational study, Chemical Physics, 2018, 513, 1-6.

14.Qian Wu, Zeliang Gao, Haoyuan Wang, Conggang Li, Weiqun Lu, Xiangxin Tian, Youxuan Sun, Na Lin, Shengqing Xia , and Xutang Tao*, Polymorphic Smooth Interfaces Formation Based on the Biphasic BaTeMo2O9 Using Top Multi-Seeded Growth, CRYSTAL GROWTH & DESIGN, 2018, 18, 5054-5062.

15.Bingzheng Yan, Baitao Zhang, Hongkun Nie, Haoyuan Wang, Guoru Li, Xiaoli Sun, Ruihua Wang, Na Lin, Jingliang He, High-power passively Q-switched 2.0 μm all-solid-state laser based on a MoTe2 saturable absorber, OPTICS EXPRESS, 2018, 26, 18505-18512.

16.Xiancui Su, Baitao Zhang, Yiran Wang, Guanbai He, Guoru Li, Na Lin, Kejian Yang, Jingliang He, Shande Liu, Broadband rhenium disulfide optical modulator for solid-state lasers, PHOTONICS RESEARCH, 2018, 6, 498-505.

17.Yanli Liu, Javier Cerezo, Na Lin, Xian Zhao, Roberto Improta, Santoro, Fabrizio, Comparison of the results of a mean-field mixed quantum/classical method with full quantum predictions for nonadiabatic dynamics: Application to theππ*/nπ* decay of Thymine, Theoretical Chemistry Accounts, 2018, 14, 820-832.

18.Javier Cerezo, Yanli Liu, Na Lin, Xian Zhao, Roberto Improta, Santoro, Fabrizio, A Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The ππ*/nπ* Decay of Thymine in Water as a Test Case, Journal of chemical theory and computation, 2018, 14, 820-832.

19.Hao Ren, Yu Zhang, Sibei Guo, Na Lin, Li Deng, Tongtao Yue, Fang Huang, Identifying Cu(II)-amyloid peptide binding intermediates in the early stages of aggregation by resonance Raman spectroscopy: a simulation study, Physical Chemistry Chemical Physics, 2017, 19, 31103-31112.

20.Jie Sun, Na Lin*, Cheng Tang, Haoyuan Wang, Hao Ren, Xian Zhao*, Electronic and transport properties of 2H1−x1Tx MoS2 hybrid structure: A first-principle study, Physica E, 2017, 91, 178–184.

21.Jie Sun, Na Lin*, Cheng Tang, Haoyuan Wang, Hao Ren, Xian Zhao*, First Principles studies on electronic and transport properties of edge contact graphene-MoS2 heterostructure, Computational Materials Science, 2017, 133, 137-144.

22.Jie Sun, Na Lin*, Cheng Tang, Haoyuan Wang, Hao Ren and Xian Zhao*, A first principles study of the interaction between two-dimensional black phosphorus and Al2O3 dielectric, RSC Advances, 2017, 7，13777-13783.

23.Qiangqiang Hu, Zhitai Jia*, Cheng Tang, Na Lin, Jian Zhang, Ning Jia, Shanpeng Wang, Xian Zhao, Xutang Tao*, “The origin of coloration and its effect on the physical properties of CaGdAlO4 crystal”, CrystEngComm, 2017, 19: 537-545.

24.Wenxiang Mu, Yanru Yin, Zhitai Jia,* Lijuan Wang, Jie Sun, Mengxia Wang, Cheng Tang, Qiangqiang Hu, Zeliang Gao, Jian Zhang, Na Lin, Stefano Veronesi,bc Zhengping Wang,a Xian Zhaoa and Xutang Tao, “An extended application of b-Ga2O3 single crystals to the laser field: Cr4+:β-Ga2O3 utilized as a new promising saturable absorber”, RSC Advances, 2017, 7, 21815-21819.

25.Hao Ren*, Guangping Zhang, Na Lin, Li Deng, Yi Luo, Fang Huang*, “Strong Fermi level pinning induces a high rectification ratio and negative differential resistance in hydrogen bonding bridged single cytidine pair junctions”, Physical Chemistry Chemical Physics, 2016, 18, 26586-26594.

26.Cheng Tang, Jie Sun, Na Lin*, Zhitai Jia, Wenxiang Mu, Xutang Tao, and Xian Zhao*. "Electronic structure and optical property of metal-doped Ga2O3: a first principles study." RSC Advances, 2016, 6, 78322-78334.

27.Yanli Liu, Javier Cerezo, Fabrizio Santoro*, Antonio Rizzo, Na Lin*, and Xian Zhao*. "Theoretical investigation of the broad one-photon absorption line-shape of a flexible symmetric carbazole derivative." Physical Chemistry Chemical Physics, 2016, 18, 22889-22905.

28.Yanli Liu, Javier Cerezo, Giuseppe Mazzeo, Na Lin, Xian Zhao, Giovanna Longhi*, Sergio Abbate, and Fabrizio Santoro*. "Vibronic coupling explains the different shape of electronic circular dichroism and of circularly polarized luminescence spectra of hexahelicenes." Journal of chemical theory and computation, 2016, 12, 2799-2819.

29.Jie Sun, Na Lin*, Hao Ren, Cheng Tang, Letao Yang, Xian Zhao*, “The Electronic Structure, Mechanical Flexibility and Carrier Mobility of Black Arsenic-Phosphorus monolayer: A First Principles Study”, Phys. Chem. Chem. Phys. 2016, 18, 9779-9787.

30.Jie Sun, Na Lin*, Hao Ren*, Cheng Tang, Letao Yang, Xian Zhao*, “Gas adsorption on MoS2/WS2 in-plane heterojunction and the I-V response: A first principles study”, RSC Advances, 2016, 6, 17494-17503.

31.Jie Sun, Na Lin*, Zhenyu Li*, Hao Ren, Cheng Tang, Xian Zhao*, “Electronic and transport properties of graphene with grain boundaries”, RSC Advances, 2016, 6, 1090-1097.

32.Jinqiang Zhang, Xianghui An, Na Lin, Wenting Wu, Lizhuo Wang, Zhongtao Li, Ruiqin Wang, Yang Wang, Junxue Liu, Mingbo Wu, “Engineering monomer structure of carbon nitride for the effective and mild photooxidation reaction”, Carbon, 2016, 100, 450-455.

33.Yanli Liu, Na Lin*, Weiliu Fan, Xian Zhao, “First principles studies on one-, two-, and three-photon absorption properties of a symmetric carbazole derivative both in gas phase and solution”, Computational and Theoretical Chemistry, 2014, 1027, 53-61.

34.Chuanyi Jia, Weiliu Fan, Xiufeng Cheng, Xian Zhao, Honggang Sun, Pan Li, Na Lin, “The Roles of Surface Structure, Oxygen Defects, and Hydration in the Adsorption of CO2 on Low-Index ZnGa2O4 Surfaces: A First-Principles Investigation”, Phys. Chem. Chem. Phys. 2014, 16, 7538-7547.

35.Na Lin, Cristina Forzato, Fulvia Felluga, Patrizia Nitti, Giuliana Pitacco, Sonia Coriani*, “On the absolute configuration of chiral 1,4-dihydropyridazines synthesised by organocatalysed reactions”, J. Org. Chem. 2013, 78, 11670-11679.

36.Xiaocun Liu, Na Lin, Jian Wang, Mingyan Pan, Xian Zhao, Xutang Tao, Shengqing Xia*, “Ba13Si6Sn8As22: A Quaternary Zintl Phase Containing Adamantane-like [Si4As10] Clusters”, Inorganic Chemistry, 2013, 52, 11836-11842.

37.Na Lin, Vincenzo Barone, Chiara Cappelli, Xian Zhao, Kenneth Ruud*, and Fabrizio Santoro*, “Effective time-independent studies on resonance Raman spectroscopy of trans-stilbene including the Duschinsky effect”, Molecular Physics, Invited article for the special issue in honour of Prof. Trygve Helgaker, 2013, 111, 1511-1525.

38.Na Lin, Harald Solheim, Xian Zhao*, Fabrizio Santoro, and Kenneth Ruud*, “First Principles Studies on the Vibrationally Resolved Magnetic Circular Dichroism Spectra of Biphenylene”, J. Chem. Theory Comput. 2013, 9, 1557-1567.

39.Na Lin, Harald Solheim, Kenneth Ruud*, et al., “Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chirality”, Phys. Chem. Chem. Phys. 2012, 14, 3669-3680.

40.Carlos Diaz, Na Lin, Carlos Toro, et al., “The Effect of the pi-Electron Delocalization Curvature on the Two-Photon Circular Dichroism of Molecules with Axial Chirality”, J. Phys. Chem. Lett. 2012, 3, 1808-1813.

41.Na Lin, Yi Luo, Kenneth Ruud, et al., “Differences in Two-Photon and One-Photon Absorption Profiles Induced by Vibronic Coupling: The Case of Dioxaborine Heterocyclic Dye”, Chem. Phys. Chem. 2011, 12, 3392-3403.

42.Na Lin, Fabrizio Santoro, Xian Zhao, et al., “Computational Challenges in Simulating and Analyzing Experimental Linear and Nonlinear Circular Dichroism Spectra. R-(+)-1,1 '-Bis(2-naphthol) as a Prototype Case”, J. Phys. Chem. B 2011, 115, 811-824.

43.Carlos Toro, Leonardo De Boni, Na Lin, et al.; “Two-Photon Absorption Circular Dichroism: A New Twist in Nonlinear Spectroscopy”, Chemistry-A European Journal, 2010, 16, 3504-3509.

44.Carlos Toro, Leonardo De Boni, Na Lin, et al., “Two-Photon Absorption Circular-Linear Dichroism on Axial Enantiomers”, Chirality, 2010, 22, E202-E210.

45.Na Lin, Fabrizio Santoro, Antonio Rizzo, et al., “Theory for Vibrationally Resolved Two-Photon Circular Dichroism Spectra. Application to (R)-(+)-3-Methylcyclopentanone”, J. Phys. Chem. A 2009, 113, 4198-4207.

46.Jia-Xiang Yang, Cai-Xia Wang, Lin Li, Na Lin, et al. “Investigation of structure-property relationships of multi-branched two-photon absorption chromophores based on pi-conjugation core”, Chem. Phys. 2009, 358, 39-44.

47.Na Lin, Fabrizio Santoro, Xian Zhao, Antonio Rizzo, Vincenzo Barone, “Vibronically resolved electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone: A theoretical study” J. Phys. Chem. A 2008, 112, 12401-12411.

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

49.Na Lin, Lara Ferrighi, Xian Zhao, Kenneth Ruud, Antonio Rizzo, Yi Luo, “Solvent Effects on Three-Photon Absorption of a Symmetric Charge-Transfer Molecule” J. Phys. Chem. B 2008, 112, 4703-4710.

50.Antonio Rizzo, Na Lin, Kenneth Ruud, “Ab initio study of the one- and two-photon circular dichroism of R-(+)-3-methyl-cyclopentanone”, J. Chem. Phys. 2008, 128, 164312-1642317.

51.Jin-Lin Zuo, Jia-Xiang Yang, Fu-Zhi Wang, Xiang-Nan Dang, Jian-Liang Sun, De-Chun Zou, Yu-Peng Tian, Na Lin, Xu-Tang Tao, Min-Hua Jiang, “2,6-diphenylpyridine-based organic emitter for electroluminescent device”, J. Photochemistry and photobiology, 2008, 199, 322-329.

52.Na Lin, Xian Zhao, Antonio Rizzo, Yi Luo, “Vibronic induced one- and two-photon absorption in a charge-transfer stilbene derivate” J. Chem. Phys. 2007, 126, 244509-244516; Virtual Journal of Ultrafast Science--July 2007, Volume 6, Issue 7

53.Na Lin, Xian Zhao, Xiu-Feng Cheng, and Min-Hua 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.

54.Na Lin, Xian Zhao, Jia-Xiang Yang, Min-Hua Jiang, et al., “Theoretical study of one-, two-, and three-photon absorption properties for a series of Y-shaped molecules”, J. Chem. Phys. 2006, 124, 24704-24712.

Manuscripts in Preparation:

55.Haoyuan Wang, Na Lin*, Haibei Li, Xian Zhao, Peter Kusalik, Effects of Precursor Morphology on Quality of Graphene Nucleation: Quantum Chemical Molecular Dynamics Simulations, 2020, In manuscript.

56.Haoyuan Wang, Na Lin*, Yifei Yu, Haibei Li, Xian Zhao, Peter Kusalik, QM/MD Studies on Graphene Nucleation by Ordered Growth along the Precursor Edges on Ni(111), 2020, In manuscript.

57.Haoyuan Wang, Na Lin*, Haibei Li, Xian Zhao, Peter Kusalik, Dual Role of Hydrogen During Annealing Process of Graphene Synthesis: QM/MD Simulations, 2020, In manuscript.

科研项目

1.国家自然科学基金面上项目“光合体系分子谱学表征中电子-振动耦合效应的多尺度理论模拟”

2.国家自然科学基金青年基金项目“单、双光子圆二色光谱中电子振动耦合机制的第一性原理研究”

3.山东省自然科学基金青年基金项目“电子—振动耦合效应对光合过程中能量、电荷传递增强机制的多尺度理论研究”

4.中国博士后基金面上项目“中远红外非线性光学晶体的第一性原理研究”

5.教育部留学回国人员科研启动经费“手性分子单、双光子圆二色光学性质及其电子振动光谱的理论研究”

其他介绍

1.瑞典化学会理论化学最佳博士论文奖暨首届Inga Fischer-Hjalmars奖，授予时间：2010/8，授予单位：瑞典化学会

2.山东省优秀博士学位论文，授予时间：2010/9，授予单位：山东省教育厅、山东省人民政府学位委员会

3.教育部高等学校科学研究优秀成果自然科学二等奖（第三完成人），授予时间：2013/1，授予单位：教育部