Liu Peng, PhD, Associate Professor, Master Supervisor in Tiangong University, I was born in December 1986 in Taiyuan, Shanxi, visiting scholar at Queen''s University of Belfast, UK. From September 2008 to July 2013, I was direct doctoral student in Analytical Chemistry, College of Chemistry, Nankai University and supervised by Professor Wensheng Cai, received Ph.D. degree. From September 2013 to July 2015, I am a postdoctor in State Key Laboratory of Pharmaceutical Chemical Biology, Nankai University and supervised by Professor Xueguang Shao. From July 2015 until now, I worked in Department of Applied Chemistry, School of Chemical Engineering and Technology, Tiangong University. I mainly teach Fundamentals of Chemical Software, Scientific Writing and Chemical Engineering Thermodynamics courses. I mainly engaged in molecular dynamics simulation on chemical reaction mechanisms of molecular sieves. I chaired one National Natural Science Foundation of China project and one Provincial Project and one Postdoctoral Fund Project and published more than 20 SCI papers.

Published Papers

[1] Peng Liu, Jingjing Zhang, Shaozhong Peng, Wei Liu, Donghai Mei*, Understanding the hydrocracking of polycyclic aromatic hydrocarbons within FAU zeolites, J. Phys. Chem. C, 2023, 127 (17): 8083-8095.

[2] Peng Liu, Jingjing Zhang, Donghai Mei*, Thermodynamic Insight into thermal cracking of n?Hexane in the H?FAU zeolite, J. Phys. Chem. C, 2022, 126 (48): 20411-20422.

[3] Peng Liu, Qian Liu, Wei Liu*, Shaozhong Peng, Donghai Mei*, Mechanistic insights into positional and skeletal isomerization of cyclohexene in the H-BEA zeolite, Phys. Chem. Chem. Phys., 2022, 24 (30): 18043-18054.

[4] Peng Liu, Qian Liu, and Donghai Mei*, Dealumination of the H-BEA Zeolite via the SN2 Mechanism: A Theoretical Investigation, J. Phys. Chem. C, 2021, 125, 44, 24613-24621.

[5] Peng Liu, Wenqi Hao, and Donghai Mei*, Understanding the effects of water molecules on cyclohexanol dehydration over zeolitic acid sites, J. Phys. Chem. C, 2021, 125, 28, 15283-15291.

[6] Peng Liu, Zhenxin Yan, and Donghai Mei*, Insights into protonation for cyclohexanol/water mixtures at the zeolitic Br?nsted acid site, Phys. Chem. Chem. Phys., 2021, 23, 10395-10401.

[7] Peng Liu and Donghai Mei*, Identifying free energy landscapes of proton-transfer processes between Br?nsted acid sites and water clusters inside the zeolite pores, J. Phys. Chem. C, 2020, 124, 22568-22576.

[8] Peng Liu*, Wenqi Hao, Xihui Bian and Donghai Mei, The shuttling mechanism of foldaxanes: more than just translocation and rotation, Phys. Chem. Chem. Phys., 2020, 22, 12967-12972.

[9] Peng Liu*, Yafei Duan, Xihui Bian, Xiaoyao Tan, Unveiling the helicity switching mechanism of a rigid two-tiered stacked architecture, RSC Adv., 2019, 9, 1501-1508.

[10] Peng Liu*, Yingzhe Liu, Xihui Bian, Xiaoyao Tan, Deciphering the helicity switching mechanism: a case study of the rigid three-tiered stacked architecture, Phys. Chem. Chem. Phys., 2018, 20(45): 28881-28885.

[11] Peng Liu, Xueguang Shao, Christophe Chipot*, Wensheng Cai*, The true nature of rotary movements in rotaxanes, Chem. Sci., 2016, 7(1): 457-462.

[12] Peng Liu, Xueguang Shao, Wensheng Cai*, Deciphering the Mechanism Involved in the Switch On/Off of Molecular Pistons, Chinese J. Chem., 2015, 33(10): 1199-1205.

[13] Peng Liu, Christophe Chipot, Wensheng Cai*, and Xueguang Shao*, Complexation Mechanism of Cucurbit[6] uril with Hexamethylene Diammonium Cations in Saline Solution, Phys. Chem. Chem. Phys., 2014, 16, 24169-24172.

[14] Peng Liu, Christophe Chipot, Wensheng Cai*, and Xueguang Shao*, Unveiling the Underlying Mechanism for Compression and Decompression Strokes of a Molecular Engine, J. Phys. Chem. C, 2014, 118(23), 12562-12567.

[15] Peng Liu, Xueguang Shao, Wensheng Cai*, Application of Pesudorotaxanes/Rotaxanes in Drug Carriers, Prog Chem., 2013, 25(5): 692-697.

[16] Peng Liu, Christophe Chipot, Xueguang Shao, and Wensheng Cai*, Solvent-Controlled Shuttling in a Molecular Switch, J. Phys. Chem. C, 2012, 116(7), 24471-4476.

[17] Peng Liu, Christophe Chipot, Xueguang Shao, and Wensheng Cai*, How Do α-Cyclodextrins Self-Organize on a Polymer Chain? J. Phys. Chem. C, 2012, 116(33), 17913-17918.

[18] Peng Liu, Fran?ois Dehez, Wensheng Cai, and Christophe Chipot*, A Toolkit for the Analysis of Free Energy Perturbation Calculations, J. Chem. Theory Comput., 2012, 8(8), 2606-2612.

[19] Peng Liu, Wensheng Cai*, Christophe Chipot, and Xueguang Shao, Thermodynamic Insights into the Dynamic Switching of a Cyclodextrin in a Bistable Molecular Shuttle, J. Phys. Chem. Lett., 2010, 1(12), 1776-1780.