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分子模拟;界面现象;催化过程;空气污染控制工程

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Q. Liu, Y. Shi, S.D. Zheng, L.Q. Ning, Q. Ye, M.N. Tao, and Y. He, "Amine-functionalized low-cost industrial grade multi-walled carbon nanotubes for the capture of carbon dioxide". Journal of Energy Chemistry, 2014. 23(1): p. 111-118. S. Zheng, M. Tao, Q. Liu, L. Ning, Y. He, and Y. Shi, "Capturing CO2 into the Precipitate of a Phase-Changing Solvent after Absorption". Environmental Science & Technology, 2014. 48(15): p. 8905-8910. Q. Liu, B.T. Xiong, J.J. Shi, M.N. Tao, Y. He, and Y. Shi, "Enhanced Tolerance to Flue Gas Contaminants on Carbon Dioxide Capture Using Amine-Functionalized Multiwalled Carbon Nanotubes". Energy & Fuels, 2014. 28(10): p. 6494-6501. Q. Liu, J.J. Shi, S.D. Zheng, M.N. Tao, Y. He, and Y. Shi, "Kinetics Studies of CO2 Adsorption/Desorption on Amine-Functionalized Multiwalled Carbon Nanotubes". Industrial & Engineering Chemistry Research, 2014. 53(29): p. 11677-11683. Q. Liu, J.J. Shi, Q.N. Wang, M.N. Tao, Y. He, and Y. Shi, "Carbon Dioxide Capture with Polyethylenimine-Functionalized Industrial-Grade Multiwalled Carbon Nanotubes". Industrial & Engineering Chemistry Research, 2014. 53(44): p. 17468-17475. G. Sun, L. Yao, L. Jiao, Y. Shi, Q. Zhang, M. Tao, G. Shan, and Y. He, "Characterizing PM2.5 Pollution of a Subtropical Metropolitan Area in China". Atmospheric and Climate Sciences 2013. 3(1): p. 100-110. Q. Liu, L.Q. Ning, S.D. Zheng, M.N. Tao, Y. Shi, and Y. He, "Adsorption of Carbon Dioxide by MIL-101(Cr): Regeneration Conditions and Influence of Flue Gas Contaminants". Scientific Reports, 2013. 3. Z.P. Ye, C.X. Wang, Z.H. Shao, Q. Ye, Y. He, and Y. Shi, "A novel dielectric barrier discharge reactor with photocatalytic electrode based on sintered metal fibers for abatement of xylene". Journal of Hazardous Materials, 2012. 241: p. 216-223. Q. Shao, Y. He, A.D. White, and S.Y. Jiang, "Different effects of zwitterion and ethylene glycol on proteins". Journal of Chemical Physics, 2012. 136(22). N. Liu, B.H. Lu, S.H. Zhang, J.L. Jiang, L.L. Cai, W. Li, and Y. He, "Evaluation of Nitric Oxide Removal from Simulated Flue Gas by Fe(II)EDTA/Fe(II)citrate Mixed Absorbents". Energy & Fuels, 2012. 26(8): p. 4910-4916. Y. He, H.K. Tsao, and S.Y. Jiang, "Improved Mechanical Properties of Zwitterionic Hydrogels with Hydroxyl Groups". Journal of Physical Chemistry B, 2012. 116(19): p. 5766-5770. Q. Shao, Y. He, and S.Y. Jiang, "Molecular Dynamics Simulation Study of Ion Interactions with Zwitterions". Journal of Physical Chemistry B, 2011. 115(25): p. 8358-8363. T.A. Pascal, Y. He, S.Y. Jiang, and W.A. Goddard, "Thermodynamics of Water Stabilization of Carboxybetaine Hydrogels from Molecular Dynamics Simulations". Journal of Physical Chemistry Letters, 2011. 2(14): p. 1757-1760. Y. He, Q. Shao, H.K. Tsao, S.F. Chen, W.A. Goddard, and S.Y. Jiang, "Understanding Three Hydration-Dependent Transitions of Zwitterionic Carboxybetaine Hydrogel by Molecular Dynamics Simulations". Journal of Physical Chemistry B, 2011. 115(40): p. 11575-11580. Y. He, Q. Shao, S.F. Chen, and S.Y. Jiang, "Chaotrope vs. kosmotrope: Which one has lower friction?". Journal of Chemical Physics, 2011. 135(15). Y. He, Q. Shao, S.F. Chen, and S.Y. Jiang, "Water Mobility: A Bridge between the Hofmeister Series of Ions and the Friction of Zwitterionic Surfaces in Aqueous Environments". Journal of Physical Chemistry C, 2011. 115(31): p. 15525-15531. Q. Shao, Y. He, A.D. White, and S. Jiang, "Difference in Hydration between Carboxybetaine and Sulfobetaine". The Journal of Physical Chemistry B, 2010. 114(49): p. 16625-16631. J.C. Hower, Y. He, and S. Jiang, "A molecular simulation study of methylated and hydroxyl sugar-based self-assembled monolayers: Surface hydration and resistance to protein adsorption". Journal of Chemical Physics, 2008. 129(21): p. 215101. Y. He, J. Hower, S. Chen, M.T. Bernards, Y. Chang, and S. Jiang, "Molecular simulation studies of protein interactions with zwitterionic phosphorylcholine self-assembled monolayers in the presence of water". Langmuir, 2008. 24(18): p. 10358-64. Y. He, Y. Chang, J.C. Hower, J. Zheng, S.F. Chen, and S. Jiang, "Origin of repulsive force and structure/dynamics of interfacial water in OEG-protein interactions: a molecular simulation study". Physical Chemistry Chemical Physics, 2008. 10(36): p. 5539-5544.

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