李旭
所属学院：轻工化工学院
邮箱:lixu@gdut.edu.cn/ @qq.com


个人简述：
李旭，女，博士，特聘副教授，广东工业大学“青年****”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、MOFs、COFs）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，4篇第一作者文章，其中三篇发表在理论化学行业顶级期刊Molecular Catalysis;Phys. Chem. Chem. Phys.; J. Phys. Chem. C上（JCR二区）；共同第一作者发表文章2篇分别在Chem. Mater.（JCR一区）; RSC Adv. （JCR三区）；其中理论结合实验，其他作者发表在Science（1篇），Nat. Commum.（4篇），J. Am. Chem. Soc.（2篇）等国际高水平杂志（JCR一区）发表论文7篇。
教育经历:
2010.9 - 2015.6, 吉林大学, 无机化学, 理学博士 导师：于吉红 院士
2006.9 - 2010.6, 延边大学, 应用化学, 理学学士
科研与学术工作经历:
2018.6 - 至今, 广东工业大学, 轻工化工学院
2016.7 - 2018.6, 新加坡国立大学, 化学与生物化学系,博士后
2015.7 - 2016.6, 新加坡南洋理工大学, 化学与生物工程系, 博士后
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
科研项目：
广东工业大学青年****科研启动基金，2018-2023，在研，主持
文章列表：
(1) Li, X.; Cheetham, A. K.; Jiang, J.: CO2 cycloaddition with propylene oxide to form propylene carbonate on a copper metal-organic framework: A density functional theory study Molecular Catalysis 2019, 463, 37.

(2) Li, X.; Jiang, J.: Methanol-to-olefin conversion in ABC-6 zeolite cavities: unravelling the role of cavity shape and size from density functional theory calculations Phys. Chem. Chem. Phys. 2018, 20, 14322.

(3) Li, X.; Sun, Q.; Li, Y.; Wang, N.; Lu, J.; Yu, J.: Confinement effect of zeolite cavities on methanol-to-olefin conversion: a density functional theory study J. Phys. Chem. C 2014, 118, 24935.

(4) Li, X.; Lu, J.; Li, Y.; Yu, J.: Roles of Hydroxyl Groups During Side‐Chain Alkylation of Toluene with Methanol over Zeolite Na‐Y: A Density Functional Theory Study Chin. J. Chem. 2017, 35, 716.

(5) Li, Y.; Li, X.; Liu, J.; Duan, F.; Yu, J.: In silico prediction and screening of modular crystal structures via a high-throughput genomic approach Nat. Commum. 2015, 6, 8328.
(6) Feng, G.; Cheng, P.; Yan, W.; Boronat, M.; Li, X.; Su, J.-H.; Wang, J.; Li, Y.; Corma, A.; Xu, R.: Accelerated crystallization of zeolites via hydroxyl free radicals. Science 2016, 351, 1188.

(7) Wang, Q.; Li, X. (共同一作); Liu, F.; Liu, C.; Su, T.; Lin, J.; Sun, P.; Sun, Y.; Liu, F.; Lu, G.: The enhanced CO gas sensing performance of Pd/SnO 2 hollow sphere sensors under hydrothermal conditions RSC Adv. 2016, 6, 80455.

(8) Dong, J.; Li, X. (共同一作); Peh, S. B.; Yuan, Y. D.; Wang, Y.; Ji, D.; Peng, S.; Liu, G.; Ying, S.; Yuan, D.: Restriction of Molecular Rotors in Ultrathin Two-Dimensional Covalent Organic Framework Nanosheets for Sensing Signal Amplification Chem. Mater. 2018, 31, 146.

(9) Zhang, C.; Xu, L.; Li, X.; Hu, J.; Zhu, L.; Li, Y.; Jiang, J.; Wang, Z.; Yang, W.: A Simple Matrine Derivative for the Facile Syntheses of Mesoporous Zeolites ITQ-37 and ITQ-43 Chem. Commun. 2019. 55, 2753-2756.

(10) Yu, Y.; Li, X.; Krishna, R.; Liu, Y.; Cui, Y.; Du, J.; Liang, Z.; Song, X.; Yu, J.: Enhancing CO2 Adsorption and Separation Properties of Aluminophosphate Zeolites by Isomorphous Heteroatom Substitutions Acs Appl. Mater. Inter. 2018. 10, 43570.
(11) Jiao, J.; Li, Z.; Qiao, Z.; Li, X.; Liu, Y.; Dong, J.; Jiang, J.; Cui, Y.: Design and self-assembly of hexahedral coordination cages for cascade reactions Nat. Commum. 2018, 9, 4423.
(12) Dong, J.; Li, X.; Zhang, K.; Di Yuan, Y.; Wang, Y.; Zhai, L.; Liu, G.; Yuan, D.; Jiang, J.; Zhao, D.: Confinement of Aggregation-Induced Emission Molecular Rotors in Ultrathin Two-Dimensional Porous Organic Nanosheets for Enhanced Molecular Recognition J. Am. Chem. Soc. 2018, 140, 4035.

(13) Wang, Y.; Di, J.; Wang, L.; Li, X.; Wang, N.; Wang, B.; Tian, Y.; Jiang, L.; Yu, J.: Infused-liquid-switchable porous nanofibrous membranes for multiphase liquid separation Nat. Commum. 2017, 8, 575.
(14) Liu, K.; Li, X.; Ma, D.; Han, Y.; Li, B.; Shi, Z.; Li, Z.; Wang, L.: A microporous yttrium metal–organic framework of an unusual nia topology for high adsorption selectivity of C 2 H 2 and CO 2 over CH 4 at room temperature Materials Chemistry Frontiers 2017, 1, 1982.

(15) Liu, B.; Yao, S.; Liu, X.; Li, X.; Krishna, R.; Li, G.; Huo, Q.; Liu, Y.: Two Analogous Polyhedron-Based MOFs with High Density of Lewis Basic Sites and Open Metal Sites: Significant CO2 Capture and Gas Selectivity Performance Acs Appl. Mater. Interfaces 2017, 9, 32820.

(16) Dong, J.; Zhang, K.; Li, X.; Qian, Y.; Zhu, H.; Yuan, D.; Xu, Q.-H.; Jiang, J.; Zhao, D.: Ultrathin two-dimensional porous organic nanosheets with molecular rotors for chemical sensing Nat. Commum. 2017, 8, 1142.

(17) Wang, Q.; Li, X.; Liu, F.; Sun, Y.; Wang, C.; Li, X.; Sun, P.; Lin, J.; Lu, G.: Three-dimensional flake-flower Co/Sn oxide composite and its excellent ethanol sensing properties Sensors Actuat. B-Chem. 2016, 230, 17.
(18) Wang, N.; Sun, Q.; Bai, R.; Li, X.; Guo, G.; Yu, J.: In situ confinement of ultrasmall Pd clusters within nanosized silicalite-1 zeolite for highly efficient catalysis of hydrogen generation J. Am. Chem. Soc. 2016, 138, 7484.
(19) Liu, J.; Li, X.; Wu, J.; Dai, Z.; Song, X.: Structural transformation of an imidazolium-templated two-dimensional aluminophosphate and its proton conduction under anhydrous conditions Mater. Lett. 2016, 184, 119.
(20) Dong, J.; Tummanapelli, A. K.; Li, X.; Ying, S.; Hirao, H.; Zhao, D.: Fluorescent porous organic frameworks containing molecular rotors for size-selective recognition Chem. Mater. 2016, 28, 7889.
(21) Sun, Q.; Li, X.; Wang, N.; Guo, G.; Yu, J.: Influence of temperature and space velocity on the MTO reaction over nano sheet-like SAPO-34 catalyst and the theoretical calculation SCIENTIA SINICA Chimica 2015, 45, 383.
(22) Sun, Q.; Ma, Y.; Wang, N.; Li, X.; Xi, D.; Xu, J.; Deng, F.; Yoon, K. B.; Oleynikov, P.; Terasaki, O.: High performance nanosheet-like silicoaluminophosphate molecular sieves: synthesis, 3D EDT structural analysis and MTO catalytic studies J. Mater. Chem. A 2014, 2, 17828.
(23) Liu, K.; Li, B.; Li, Y.; Li, X.; Yang, F.; Zeng, G.; Peng, Y.; Zhang, Z.; Li, G.; Shi, Z.: An N-rich metal–organic framework with an rht topology: high CO 2 and C 2 hydrocarbons uptake and selective capture from CH 4 Chem. Commun. 2014, 50, 5031.
(24) Tong, X.; Xu, J.; Li, X.; Li, Y.; Yan, W.; Yu, J.; Deng, F.; Sun, H.; Xu, R.: 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 Micropor. Mesopor. Mater. 2013, 176, 112.
(25) Wang, Y.; Shao, L.; Li, Y.; Li, X.; Li, J.; Yu, J.; Xu, R.: LEV-zeotype magnesium aluminophosphates with variable Mg/Al ratios Dalton. Trans. 2012, 41, 6855.
(26) Cheng, T.; Xu, J.; Li, X.; Li, Y.; Zhang, B.; Yan, W.; Yu, J.; Sun, H.; Deng, F.; Xu, R.: Molecular engineering of microporous crystals:(IV) Crystallization process of microporous aluminophosphate AlPO4-11 Micropor. Mesopor. Mater. 2012, 152, 190.