(18) Zhewen Zhu, Shiyu Lv, Qingwei Gao*, Shuangliang Zhao* and Xiaohua Lu, An analytical model for evaluating fluid flux across carbon-based membrane, Journal of Membrane Science, 2022, 644, 120157
(17) Yumeng Zang, Yingying Zhang, Xueling Pan, Yao Qin, Jiawei Deng, Shanshan Wang, Qingwei Gao, Yudan Zhu*, Zhuhong Yang and Xiaohua Lu, Molecular insights on Ca2+/Na+ separation via graphene-based nanopores: The role of electrostatic interactions to ionic dehydration, Chinese Journal of Chemical Engineering, 2021, Accepted
(16) Yihui Dong*, Aatto Laaksonen, Qingwei Gao and Xiaoyan Ji*, Molecular mechanistic insights into the ionic-strength-controlled interfacial behavior of proteins on a TiO2 surface, Langmuir, 2021, 37(39), 11499–11507
(15) Yihui Dong*, Aatto Laaksonen, Feng Huo, Qingwei Gao, Xiaoyan Ji*, Hydrated ionic liquids boost the trace detection capacity of proteins on TiO2 support, Langmuir, 2021, 37(16), 5012–5021
(14) Sunday T. Oyinbo, Tien-Chien Jen*, Peter Ozaveshe Oviroh, Qingwei Gao, Nanoindentation study in cold gas dynamic sprayed thin films using molecular dynamics simulation, Materials Today: Proceedings, 2021, 44, 1911-1915
(13) Yumeng Zhang, Yajing You, Qingwei Gao, Cheng Zhang, Shanshan Wang,Yao Qin, Yudan Zhu* and Xiaohua Lu, Molecular insight into flow resistance of choline chloride/urea confined in ionic model nanoslits, Fluid Phase Equilibria, 2021, 533, 112934
(12) Qingwei Gao, Yumeng Zhang, Aatto Laaksonen, Yudan Zhu*, Xiaoyan Ji, Shuangliang Zhao, Yaojia Chen and Xiaohua Lu, Effect of dimethyl carbonate on the behavior of water confined in carbon nanotube, Chinese Journal of Chemical Engineering, 2021, 31, 177-185
(11) Sunday T. Oyinbo, Tien-Chien Jen*, Qingwei Gao and Xiaohua Lu, A simulation study of methane-hydrogen gas mixture permeation through nanoporouspalladium membrane using molecular dynamics, Vacuum, 2020, 182, 109804
(10) Qingwei Gao, Yao Qin, Yumeng Zhang, Shanshan Wang, Yudan Zhu*, Xiaoyan Ji and Xiaohua Lu, Preliminary study on mechanism of confined mass transfer and separation: “Secondary confinement” effect of interfacial adsorption layer, CIESC Journal, 2020, 71(10), 4670-4677
(9) Qingwei Gao, Nanhua Wu, Yao Qin, Aatto Laaksonen, Yudan Zhu*, Xiaoyan Ji* and Xiaohua Lu, Molecular insight into wetting behavior of deep eutectic solvent droplets on ionic substrates: A molecular dynamics study, Journal of Molecular Liquids, 2020, 319, 114298
(8) Qingwei Gao, Yumeng Zhang, Shuting Xu, Aatto Laaksonen, Yudan Zhu*, Xiaoyan Ji* and Xiaohua Lu, Physicochemical properties and structure of fluid at nano-/micro-interface: Progress in simulation and experimental study, Green Energy & Environment, 2020, 5(3), 274-285
(7) Nana Zhao, Jiawei Deng, Yudan Zhu*, Yaojia Chen, Yao Qin, Yang Ruan, Yumeng Zhang, Qingwei Gao and Xiaohua Lu, Atomistic insights into the effects of carbonyl oxygens in functionalized graphene nanopores on Ca2+/Na+ sieving, Carbon, 2020, 164, 305-316
(6) Yao Qin, Nana Zhao, Yudan Zhu*, Yumeng Zhang, Qingwei Gao, Zhongyang Dai, Yajing You and Xiaohua Lu, Molecular insights into the microstructure of ethanol/water binary mixtures confined within typical 2D nanoslits: The role of the adsorbed layers induced by different solid surfaces, Fluid Phase Equilibria, 2020, 509, 112452
(5) Yumeng Zhang, Yudan Zhu*, Anran Wang, Qingwei Gao, Yao Qin, Yaojia Chen and Xiaohua Lu, Progress in molecular-simulation-based research on the effects of interface-induced fluid microstructures on flow resistance, Chinese Journal of Chemical Engineering, 2019, 27(6), 1403-1415
(4) Jiahui Li, Yudan Zhu*, Yumeng Zhang, Qingwei Gao, Wei Zhu, Xiaohua Lu, Yijun Shi, Extra low friction coefficient caused by the formation of a solid-like layer: A new lubrication mechanism found through molecular simulation of the lubrication of MoS2 nanoslits, Chinese Journal of Chemical Engineering, 2018, 26(12), 2412-2419
(3) Qingwei Gao, Yudan Zhu*, Xiaoyan Ji, Wei Zhu, Linghong Lu, and Xiaohua Lu, Effect of water concentration on the microstructures of choline chloride/ urea (1:2) /water mixture, Fluid Phase Equilibria, 2018, 470, 134–139
(2) Qingwei Gao, Yudan Zhu*, Yang Ruan, Yumeng Zhang, Wei Zhu, Xiaohua Lu, and Linghong Lu, Effect of adsorption alcohol layers on the behaviours of water molecules confined in graphene nanoslit: A molecular dynamics study, Langmuir, 2017, 33(42), 11467-11474
(1) Yang Ruan, Yudan Zhu*, Yumeng Zhang, Qingwei Gao, Xiaohua Lu*, and Linghong Lu, Molecular Dynamics Study of Mg2+/Li+ Separation via biomimetic graphene-based nanopores: The role of dehydration in second shell, Langmuir, 2016, 32(51), 13778–1378
