非线性光学晶体理论模拟

非线性光学晶体是当今及未来光电信息技术的重要基础材料。当前的非线性光学晶体研究面临复杂的瓶颈问题，跨越多学科、多领域，需要具备系统的晶体结构化学知识、一定的凝聚态物理思想和严谨的材料计算模拟与实验表征手段。因此，非常欢迎有物理化学理论计算背景的同学来交流访问学习，非常欢迎有功能晶体材料实验背景的同学来探索发现新材料。

080502-材料学
070304-物理化学

非线性光学晶体
功能材料计算模拟
晶体物理化学机制

2010-09--2016-06   中国科学院理化技术研究所   理学硕士/博士
2005-09--2009-06   山东大学物理学院   理学学士

   

2020-01~现在, 中国科学院理化技术研究所, 项目研究员/研究员
2016-08~2019-12,中国工程物理研究院北京计算科学研究中心, 博士后/访问学者

   

（1） 中国科学院院引进人才, 院级, 2021
（2） 中国科学院院长特别奖, 院级, 2016

（ 1 ） 一种聚二氟磷腈的应用, 2022, 第 1 作者, 专利号: CN109613785B

https://orcid.org/0000-0002-9993-6399

[1] Pan, Xuanlin, Liu, Fan, Lin, Zheshuai, Kang, Lei. Birefringent Dispersion Optimization to Achieve Superior Nonlinear Optical Phase Matching in Deeper Solar-Blind UV Band from KH 2 PO 4 to BeH 3 PO 5. SMALL. 2023, 第 4 作者  通讯作者  http://dx.doi.org/10.1002/smll.202308811.
[2] Wu, Qingchen, Kang, Lei, Lin, Zheshuai. A Machine Learning Study on High Thermal Conductivity Assisted to Discover Chalcogenides with Balanced Infrared Nonlinear Optical Performance. ADVANCED MATERIALS. 2023, 第 2 作者  通讯作者  http://dx.doi.org/10.1002/adma.202309675.
[3] Zhao, Jinjin, Huo, Hao, Zhao, Yingjie, Guo, Yangwu, Dong, Meiqiu, Fu, Yue, Zhang, Jingyuan, Gao, Zhixiang, Kang, Lei. Chiral Hybrid Perovskites (R-/S-CLPEA)(4)Bi2I10 with Enhanced Chirality and Spin-Orbit Coupling Splitting for Strong Nonlinear Optical Circular Dichroism and Spin Selectivity Effects. CHEMISTRY OF MATERIALS[J]. 2023, 第 9 作者  通讯作者  35(11): 4347-4354, http://dx.doi.org/10.1021/acs.chemmater.3c00425.
[4] Kang, Lei, Lin, Zheshuai. Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery. LIGHT-SCIENCE & APPLICATIONS[J]. 2022, 第 1 作者11(1): 201, 
[5] Gong, Pifu, Liang, Fei, Kang, Lei, Lin, Zheshuai. Mid-Infrared Nonlinear Optical Halides with Diamond-like Structures: A Theoretical and Experimental Study. CHEMISTRY OF MATERIALS[J]. 2022, 第 3 作者  通讯作者  34(11): 5301-5310, http://dx.doi.org/10.1021/acs.chemmater.2c01051.
[6] Huo, Hao, Lin, Zheshuai, Kang, Lei. Mid-infrared nonlinear optical heptachlorodigallate AGa2Cl7 (A = Ga+, In+) with a unique second harmonic generation mechanism induced by monovalent cations. MATERIALS TODAY PHYSICS[J]. 2022, 第 3 作者  通讯作者  28: http://dx.doi.org/10.1016/j.mtphys.2022.100894.
[7] Zhang, Xinyuan, Kang, Lei, Gong, Pifu, Lin, Zheshuai, Wu, Yicheng. Nonlinear Optical Oxythiophosphate Approaching the Good Balance with Wide Ultraviolet Transparency, Strong Second Harmonic Effect, and Large Birefringence. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2021, 第 2 作者  通讯作者  60(12): 6386-6390, http://dx.doi.org/10.1002/anie.202016013.
[8] Kang, Lei, Gong, Pifu, Lin, Zheshuai, Huang, Bing. Deep-Ultraviolet Nonlinear-Optical van-der-Waals Beryllium Borates**. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2021, 第 1 作者60(30): 16680-16686, 
[9] Kang, Lei, Lin, Zheshuai. Second harmonic generation of MoSi2N4-type layers. PHYSICAL REVIEW B[J]. 2021, 第 1 作者  通讯作者  103(19): http://dx.doi.org/10.1103/PhysRevB.103.195404.
[10] Kang, Lei, Lin, Zheshuai. Novel van der Waals Deep-UV Nonlinear Optical Materials. CHEMISTRY-A EUROPEAN JOURNAL[J]. 2021, 第 1 作者http://dx.doi.org/10.1002/chem.202102597.
[11] Kang, Lei, Liang, Fei, Jiang, Xingxing, Lin, Zheshuai, Chen, Chuangtian. First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals. ACCOUNTS OF CHEMICAL RESEARCH[J]. 2020, 第 1 作者53(1): 209-217, 
[12] Kang, Lei, Liu, Xiaomeng, Lin, Zheshuai, Huang, Bing. Layered oxide B2S2O9 with a deep-ultraviolet band gap and a strong and robust second-harmonic generation. PHYSICAL REVIEW B[J]. 2020, 第 1 作者102(20): 205424, 
[13] Gong, Pifu, Kang, Lei, Lin, Zheshuai. Realizing Deep-Ultraviolet Second Harmonic Generation by First-Principles-Guided Materials Exploration in Hydroxyborates. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2020, 第 2 作者  通讯作者  142(35): 15157-15163, https://www.webofscience.com/wos/woscc/full-record/WOS:000569271600034.
[14] 康雷, 梁飞, 林哲帅, 黄兵. 深紫外非线性光学晶体设计：基于第一性原理的计算机辅助设计蓝图. 中国科学:材料科学(英文版)[J]. 2020, 第 1 作者63(8): 1597-1612, http://lib.cqvip.com/Qikan/Article/Detail?id=7102459278.
[15] Zhang, Shengzi, Kang, Lei, Lin, Zheshuai. Nonlinear optical ASnX (A = Na, H; X = N, P) nanosheets with divalent tin lone electron pair effect by first-principles design. NANOSCALE[J]. 2020, 第 2 作者  通讯作者  12(27): 14895-14902, https://www.webofscience.com/wos/woscc/full-record/WOS:000549588900051.
[16] Kang, Lei, Zhang, Xinyuan, Liang, Fei, Lin, Zheshuai, Huang, Bing. Poly(difluorophosphazene) as the First Deep-Ultraviolet Nonlinear Optical Polymer: A First-Principles Prediction. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2019, 第 1 作者58(30): 10250-10254, 
[17] Kang, Lei, Luo, Siyang, Peng, Guang, Ye, Ning, Wu, Yicheng, Chen, Chuangtian, Liu, Zheshuai. First-Principles Design of a Deep-Ultraviolet Nonlinear-Optical Crystal from KBe2BO3F2 to NH4Be2BO3F2. INORGANIC CHEMISTRY[J]. 2015, 第 1 作者54(22): 10533-10535, 
[18] Kang, Lei, Zhou, Molin, Yao, Jiyong, Lin, Zheshuai, Wu, Yicheng, Chen, Chuangtian. Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY[J]. 2015, 第 1 作者137(40): 13049-13059, 

   

（ 1 ） 典型狄拉克材料的非线性光学性质的理论研究, 负责人, 国家任务, 2018-01--2020-12
（ 2 ） 低维极性材料非线性光学性能调控机制的理论研究, 负责人, 国家任务, 2022-01--2025-12

（1）倍频晶体计算模拟浅谈   第三届人工晶体材料青年学术会议   2023-04-07

已指导学生

李仕航  硕士研究生  080502-材料学  

霍昊  博士研究生  080502-材料学  

现指导学生

刘帆  博士研究生  080502-材料学  

姚澳格  硕士研究生  080502-材料学  

陈会歌  博士研究生  080502-材料学  

胡天瑞  硕士研究生  085600-材料与化工  

潘宣霖  博士研究生  080502-材料学