利用计算化学方法（DFT、MD、Monte Carlo等）解决界面地球化学、界面环境化学问题，包括污染物吸附、晶体生长与溶解、光催化在环境中的应用、生物矿化、以及纳米颗粒自组装等。
【科研成果和奖励】 
目前以第一作者（含共一）身份在Nature Communications.、Journal of Physical Chemistry Letters等国际著名期刊上发表SCI论文10篇。曾作为主研参与多项美国能源部课题研究。
【主要论著】
1.Shen, Z., Konishi, H., Brown, P. E. and Xu, H.STEM Investigation of Exsolution Lamellae and “c”-reflections in Ca-rich Dolomite from the Platteville Formation,West Wisconsin,American Mineralogist,2013,98: 760-766 2.Shen, Z., Konishi, H., Brown, P. E. and Xu, H. Z-contrast Imaging and ab initio Study on “d” Superstructure in Sedimentary Dolomite,American Mineralogist,2014,99: 1413-1419 3.Shen, Z., Liu Y.,Brown, P. E., Szlufarska, I.and Xu, H.Modeling the Effect of Dissolved Hydrogen Sulfide on Mg2+-Water Complex on Dolomite {10 4} surface,Journal ofPhysical Chemistry C,2014,118: 15716-15722 4.Shen, Z., Szlufarska, I.and Xu, H.Investigation of the Role of Polysaccharide in the Dolomite Growth at Low Temperature by Using Atomistic Simulations,Langmuir,2015,31: 10435-10442 5.Shen, Z., Ilton, E. S., Prange, M. P., Kerisit, S. N. Molecular Dynamics Simulations of the Interfacial Region between Boehmite and Gibbsite Basal Surfaces and High Ionic Strength Aqueous Solutions,Journal ofPhysical Chemistry C,2017,121: 13692-13700 6.Zhang,X.,Shen, Z.*, Liu, J., Kerisit, S. N., Bowden, M.E., Sushko, M.L., and De Yoreo, J.J., Rosso, K.M.Direction-Specific Interaction Forces underlying ZnO Crysal Growth by Oriented Attachment,Nature Communications,2017,8:835 (*co-first author) 7.Shen, Z., Kerisit, S. N., Stack, A.,Rosso, K. M.Free-Energy Landscape of the Dissolution of Gibbsite at High pH,Journal of Physical Chemistry Letters,2018,9: 1809-1814 8.Shen, Z., Chun, J.,Rosso, K. M., Mundy, C. J. Surface Chemistry Affects the Efficacy of the Hydration Force betweenTwo ZnO (100) Surfaces,Journal of Physical Chemistry C,2018,122: 12259-12266 9.Shen, Z., Ilton, E. S., Prange, M. P., Mundy, C. J., Kerisit, S. N., Diffusion Mechanism of Radiolytic Species in Irradiated Al (Oxy-)Hydroxides,Journal of Physical Chemistry C,2018,122: 28990-28997 10.Shen, Z., and Van Lehn, R. C. Solvent Selection for the Separation of Lignin Derived Monomers Using the Conductor-like Screening Model for Real Solvents, I&EC Research,2020,59: 7755-7764
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