个人简介

徐丽娜，博士，主要从事计算化学和计算材料学研究。近年来，主持和参与国家自然科学基金、浙江省自然科学基金4项，在ACS   Catal.、Coord.   Chem. Rev.、Chem. Mater.、Chem.   Commun.、Mol. Catal.、Phys.   Chem. Chem. Phys.、Langmuir、J.   Org. Chem.、RSC Adv.等刊物上发表论文20余篇。

科研项目

(1)国家自然科学基金青年科学基金项目(21703158)，基于配位键自组装的超分子反应器催化机理的理论研究，2018.1-2020.12，21万元，主持
(2) 国家自然科学基金面上项目(21873073)，原子/分子层沉积金属-有机框架材料的表面反应与生长机理的理论研究，2019.01-2022.12，66万元，参与
(3) 浙江省自然科学基金(LQ15B030001)，基于配位键自组装的分子反应器催化有机反应的理论研究，2015.1-2018.12，5万元，主持
(4) 浙江省自然科学基金(LY17B030003)，原子层沉积和分子层沉积的表面反应与生长机理的理论研究，2017.01-2019.12，8万元，参与

代表性论文

(1)  Lina Xu, Guoyong   Fang*, Yanghong Yu, Yuefan Ma, Zihang Ye, Zhenyu Li*, Molecular mechanism of   heterogeneous supramolecular catalysis of metal-free cucurbituril solid for   epoxide alcoholysis, Mol. Catal., 2019, 467, 1-8.
(2) Yan-Qiang Cao#,   Wei Zhang#, Lina Xu#, Chang Liu, Lin Zhu, Lai-Guo Wang,   Di Wu, Ai-Dong Li*, Guoyong Fang*, Growth mechanism, ambient stability and   charge trapping ability of Ti-based maleic acid hybrid films by molecular   layer deposition, Langmuir, 2019, DOI: 10.1021/acs.langmuir.8b04137.
(3) Lina Xu, Guoyong Fang*, Junbin Tao, Zihang Ye, Sainan Xu, Zhenyu Li*,   Molecular mechanism and solvation effect of supramolecular catalysis in a synthetic   cavitand receptor with an inwardly directed carboxylic acid for ring-opening cyclization   of epoxy alcohols, ACS Catal., 2018, 8, 11910-11925.
(4) Lina   Xu*, Guoyong Fang, Shuhua Li*, Supramolecular catalysis in the methylation of   meta-phenylene ethynylene foldamer containing N,N-dimethylaminopyridine, RSC   Adv., 2017, 7, 14046-14052.
(5) Lina Xu, Guoyong Fang*, Yanqiang Cao, Aidong Li, Interfacial catalysis in   and initial reaction mechanism of Al2O3 films   fabricated by atomic layer deposition using non-hydrolytic sol-gel chemistry,   Phys. Chem. Chem. Phys., 2016, 18, 31223-31229.
(6) Guoyong Fang*, Lina Xu, Yanqiang Cao, Aidong Li, Theoretical design and   computational screening of precursors for atomic layer deposition, Coord.   Chem. Rev., 2016, 322, 94-103.
(7) Guoyong Fang*, Lina Xu, Jing Ma, Aidong Li, Theoretical understanding of   the reaction mechanism of SiO2 atomic layer deposition, Chem. Mater., 2016, 28,   1247-1255.
(8) Guo-Yong Fang*, Li-Na Xu, Yan-Qiang Cao, Lai-Guo Wang, Di Wu, Ai-Dong   Li*, Self-Catalysis by Aminosilanes and Strong Surface Oxidation by O2   Plasma in Plasma-Enhanced Atomic Layer Deposition of High-Quality SiO2,   Chem. Commun., 2015, 51, 1341-1344.
(9) Lina Xu, Shugui Hua, Shuhua Li*, Insight into the reaction between a   primary amine and a cavitand with an introverted aldehyde group: an   enzyme-like mechanism, Chem. Commun., 2013, 49, 1542-1544.
(10) Lina Xu, Weijie Hua, Shugui Hua, Jun Li, Shuhua Li*, Mechanistic insight   on the Diels-Alder reaction catalyzed by a self-assembled molecular capsule,   J. Org. Chem., 2013, 78, 3577-3582.

招生专业：化学、材料科学与工程、材料与化工、资源与环境。

欢迎数学、物理、化学、化工、材料、能源、计算机、电子信息类专业同学加入计算能源材料化学课题组！

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