李旭副教授

所属学院：轻工化工学院

导师类别：硕士生导师

研究领域：

(1)密度泛函（DFT）研究催化反应机理

(2)分子模拟研究材料的吸附

(3)分子模拟结合量化计算设计功能材料

(4)理论研究主-客体材料的相互作用

学科领域：

科学学位：理学博士

专业学位：无机化学

个人学术主页：https://www.researchgate.net/profile/Xu_Li35

联系方式：lixu@gdut.edu.cn

硕士招生学院：轻工化工学院

个人简述：

李旭，女，博士，副教授，硕士生导师，广东工业大学“青年百人计划”A类引进人才。近年来以量子化学和分子模拟为技术手段，重点展开了多孔材料（分子筛、MOF、COF）和金属氧化材料的催化，吸附，荧光，主-客体作用的研究。在催化方面的研究主要涉及能源转化（甲醇制烯烃MTO和烷基化反应）、CO₂转化和手性催化等。迄今为止，已在化学/材料学科主流期刊上发表学术论文20余篇，其中理论结合实验在Science，Nature communication，Journal of American Chemical Society等国际高水平杂志发表论文7篇。已发表论文累积引用次数480余次。

教育背景：

2010.09-2015.06吉林大学 无机化学 理学博士 导师：于吉红院士

2006.09-2010.06延边大学 应用化学 理学学士

工作经历：

2018.06-至今 广东工业大学轻工化工学院 副教授

2016.07-2018.06新加坡国立大学博士后导师：JiangJianwen

2015.07-2017.06新加坡南洋理工大学博士后导师：Hajime Hirao

发表研究论文：

1.Xu Li, Jianwen Jiang,Methanol-to-olefin conversion in ABC-6 zeolite cavities: unravelling the role of cavity shape and size from density functional theory calculations.Physical Chemistry Chemical Physics03/2018; 20(21)., DOI:10.1039/C8CP00572A

2.Xu Li, Yi Li, Qiming Sun, Ning Wang, Junran Lu, Jihong Yu:Confinement Effect of Zeolite Cavities on Methanol-to-Olefin Conversion: A Density Functional Theory Study.The Journal of Physical Chemistry C10/2014; 118(43):24935-24940., DOI:10.1021/jp505696m

3.Xu Li, Junran Lu, Yi Li, Jihong Yu:Roles of Hydroxyl Groups During Side-Chain Alkylation of Toluene with Methanol over Zeolite Na-Y: A Density Functional Theory Study.Chinese Journal of Chemistry04/2017; DOI: 10.1002 /cjoc.201600594

4.Qingji Wang,Xu Li (共一作),Fangmeng Liu, Chang Liu, Tan Su, Jun Lin, Peng Sun, yanfeng sun, Fengmin Liu, geyu lu:Enhanced CO gas sensing performance of Pd/SnO₂hollow sphere sensor under hydrothermal condition.RSC Advances01/2016; 6(84), DOI:10.1039/C6RA15765C

5.Guodong Feng, Peng Cheng, Wenfu Yan, Mercedes Boronat,Xu Li, J.-Hu. Su, Jianyu Wang, Yi Li, Avelino Corma, Ruren Xu, Jihong Yu:Accelerated crystallization of zeolites via hydroxyl free radicals.Science03/2016; 351(6278):1188-1191., DOI:10.1126/science.aaf1559(一区，TOP=1,影响因子：37.2)

6.Yi Li,Xu Li, Jiancong Liu, Fangzheng Duan, Jihong Yu:In silico prediction and screening of modular crystal structures via a high-throughput genomic approach.Nature Communications09/2015; 6:8328., DOI: 10.1038/ ncomms9328(一区，TOP=1,影响因子：12.1)

7.Jingjing Jiao, Zijian Li, Zhiwei Qiao,Xu Li, Yan Liu, Jinqiao Dong, Jianwen Jiang, Yong Cui:Design and self-assembly of hexahedral coordination cages for cascade reactions.Nature Communications11/2018; 9: 2041., DOI: 10.1038/s41467-018-06872-0(一区，TOP=1,影响因子：12.1)

8.Jinqiao Dong, Kang Zhang,Xu Li, Yuhong Qian, Hai Zhu, Daqiang Yuan, Qing-Hua Xu, Jianwen Jiang, Dan Zhao: Ultrathin two-dimensional porous organic nanosheets with molecular rotors for chemical sensing.Nature Communications12/2017; 8(1)., DOI:10.1038/s41467-017-01293-x(一区，TOP=1,影响因子：12.1)

9.Yang Wang, Jiancheng Di, Li Wang,Xu Li, Ning Wang, Baixian Wang, Ye Tian, Lei Jiang, Jihong Yu: Publisher Correction: Infused-liquid-switchable porous nanofibrous membranes for multiphase liquid separation.Nature Communications12/2017; 8(1)., DOI:10.1038/s41467-017-02010-4(一区，TOP=1,影响因子：12.1)

10.Jinqiao Dong,Xu Li, Kang Zhang, Yi Di Yuan, Yuxiang Wang, Linzhi Zhai, Guoliang Liu, Daqiang Yuan, Jianwen Jiang, Dan Zhao: Confinement of Aggregation Induced Emission (AIE) Molecular Rotors in Ultrathin Two-Dimensional Porous Organic Nanosheets for Enhanced Molecular Recognition.Journal of the American Chemical Society02/2018; 140(11)., DOI:10.1021/jacs.7b13069(一区，TOP=1,影响因子：13.9)

11.Ning Wang, Qiming Sun, Risheng Bai,Xu Li, Guanqi Guo, Jihong Yu:In situ confinement of ultra-small Pd clusters within nanosized silicalite-1 zeolite for high-efficient hydrogen generation catalysis.Journal of the American Chemical Society06/2016; 138(24)., DOI:10.1021/jacs.6b03518(一区，TOP=1,影响因子：13.9)

12.Jinqiao Dong, Anil Kumar Tummanapelli,Xu Li, Shaoming Ying, Hajime Hirao, Dan Zhao:Fluorescent Porous Organic Frameworks Containing Molecular Rotors for Size Selective Recognition.Chemistry of Materials10/2016; 28(21)., DOI:10.1021/acs.chemmater.6b03376

13.Qiming Sun, Yanhang Ma, Ning Wang,Xu Li,Dongyang Xi, Jun Xu, Feng Deng, Kyung Byung Yoon, Peter Oleynikov, Osamu Terasaki, Jihong Yu:High performance nanosheet-like silicoaluminophosphate molecular sieves: Synthesis, 3D EDT structural analysis and MTO catalytic studies.Journal of material chemistry A08/2014; 2(42)., DOI:10.1039/C4TA03419H

14.Kang Liu, Baiyan Li, Yi Li,Xu Li, Fen Yang, Guang Zeng, Yu Peng, Zhijuan Zhang, Guanghua Li, Zhan Shi, Shouhua Feng, Datong Song:An N-rich metal-organic framework with an rht topology: High CO₂and C₂hydrocarbons uptake and selective capture from CH₄.Chemical Communications05/2014; 50(39):5031-5033., DOI:10.1039/c4cc00375f

15.Qingji Wang,Xu Li, Fangmeng Liu, Yanfeng Sun, Chen Wang, Xiaowei Li, Peng Sun, Jun Lin, Geyu Lu:Three-Dimensional Flake-flower Co/Sn Oxide Composite and Its Excellent Ethanol Sensing Properties.Sensors and Actuators B Chemical02/2016; 230., DOI:10.1016/j.snb.2016.01.147

16.Kang Liu,Xu Li,Dingxuan M,a Yi Han, Baiyan Li, Zhan Shi, Zhenjiang Lid and Lei Wang:A microporous yttrium metal–organic framework of an unusual nia topology for high adsorption selectivity of C2H2 and CO2 over CH4 at room temperature.Material Chemistry Frontiers06/2017, DOI:10.1039/c7qm00164a

17.Bing Liu, Shuo Yao, Xinyao Liu,Xu Li, Rajamani Krishna, Guanghua Li, Qisheng Huo, Yunling Liu: Two analogous polyhedron-based MOFs with high Lewis basic sites and open metal sites: significant CO2 capture and gas selectivity performance.ACS Applied Materials & Interfaces09/2017; 9(38)., DOI:10.1021/acsami.7b10795

18.Yanyan Wang, Lang Shao, Yi Li,Xu Li, Jiyang Li, Jihong Yu, Ruren Xu:LEV-zeotype magnesium aluminophosphates with variable Mg/Al ratios.Dalton Transactions06/2012; 41(22):6855-6860., DOI: 10.1039/ c2dt12106a

19.Xiaoqiang Tong, Jun Xu,Xu Li, Yi Li, Wenfu Yan, Jihong Yu, Feng Deng, Huai Sun, Ruren Xu:Molecular engineering of microporous crystals: (VII) The molar ratio dependence of the structure-directing ability of piperazine in the crystallization of four aluminophosphates with open-frameworks.Microporous and Mesoporous Materials08/2013; 176:112–122., DOI:10.1016/j.micromeso.2013.03.045

20.Tao Cheng, Jun Xu,Xu Li, Yi Li, Bin Zhang, Wenfu Yan, Jihong Yu, Huai Sun, Feng Deng, Ruren Xu:Molecular engineering of microporous crystals: (IV) Crystallization process of microporous aluminophosphate AlPO₄-11.Microporous and Mesoporous Materials04/2012; 152:190–207., DOI: 10.1016/ j.micromeso. 2011.11.034

21.Jiancong Liu,Xu Li, Jiaqi Wu, Zhenyu Dai, Xiaowei Song:Structural transformation of an imidazolium-templated two-dimensional aluminophosphate and its proton conduction under anhydrous conditions.Materials Letters08/2016; 184., DOI:10.1016/j.matlet.2016.08.001

22.Qiming Sun, Yanhang Ma, Ning Wang,Xu Li, Dongyang Xi, Jun Xu, Feng Deng, Kyung Byung Yoon, Peter Oleynikov, Osamu Terasaki, Jihong Yu:Influence of temperature and space velocity on the MTO reaction over nano sheet-like SAPO-34 catalyst and the theoretical calculation.Chinese journal of science,2015;(4): 383-390., DOI:10.1360/N032014-00254

23.Jingran, Zhu; Ke, Li; Yan, Yan;Xu Li; Xiao, Song, Synthesis and Characterization of a New Layered Heteroatom Substituted Aluminophosphate,University journals2014 doi:10.7503/ cjcu20140206.

24.孙启明，李旭，王宁，郭冠琦，于吉红,温度及空速对纳米SAPO-34分子筛在MTO反应中的影响及理论计算研究,中国科学:化学4,006.