| A combined first principles and classical molecular dynamics study of clay-soil organic matters (SOMs) interactions Y Zhang, X Liu, C Zhang, X Lu Geochimica et Cosmochimica Acta 291, 110-125, 2020 | 37 | 2020 |
| Calibration of the discrete element method and modeling of shortening experiments C Li, H Yin, C Wu, Y Zhang, J Zhang, Z Wu, W Wang, D Jia, S Guan, ... Frontiers in Earth Science 9, 636512, 2021 | 17 | 2021 |
| Complexation of carboxylate on smectite surfaces X Liu, X Lu, Y Zhang, C Zhang, R Wang Physical Chemistry Chemical Physics 19 (28), 18400-18406, 2017 | 16 | 2017 |
| A molecular dynamics simulation study of KF and NaF ion pairs in hydrothermal fluids X Zhang, X Liu, M He, Y Zhang, Y Sun, X Lu Fluid Phase Equilibria 518, 112625, 2020 | 14 | 2020 |
| Surface acidity and As (V) complexation of iron oxyhydroxides: Insights from first-principles molecular dynamics simulations Y Zhang, X Liu, J Cheng, X Lu Environmental Science & Technology 55 (23), 15921-15928, 2021 | 10 | 2021 |
| Molecular dynamics simulation of alkylammonium-intercalated vermiculites C Chen, X Liu, Y Zhang, C Zhang, X Lu Clays and Clay Minerals 65 (6), 378-386, 2017 | 9 | 2017 |
| Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations Y Zhang, X Liu, J Cheng, X Lu American Mineralogist 106 (11), 1736-1743, 2021 | 8 | 2021 |
| Interlayer Structures and Dynamics of Arsenate and Arsenite Intercalated Layered Double Hydroxides: A First Principles Study Z Yingchun, L Xiandong, Z Chi, H Mengjia, L Xiancai Minerals 7 (4), 53, 2017 | 7 | 2017 |
| Adsorption of CTAB on Sapphire-c at High pH: Surface and Zeta Potential Measurements Combined with Sum-Frequency and Second-Harmonic Generation A Abdelmonem, Y Zhang, B Braunschweig, D Glikman, A Rumpel, ... Langmuir 38 (11), 3380-3391, 2022 | 6 | 2022 |
| Complexation of quinone species on 2: 1 dioctahedral phyllosilicate surfaces Y Zhang, X Liu, C Zhang, X Lu Applied Clay Science 162, 268-275, 2018 | 6 | 2018 |
| 高岭石和伊利石表面润湿性的分子动力学研究 薛荣， 邓倩， 陆现彩， 张立虎， 张迎春 高校地质学报 21 (4), 594, 2015 | 4 | 2015 |
| 沥青质在高定向热解石墨表面络合机制的分子动力学模拟 李晔帆， 张迎春， 刘显东， 张弛， 陆现彩 石油学报 41 (5), 592, 2020 | 2 | 2020 |
| Acidity and metal complexation of edge surface of birnessite-type MnO2: Insight from first principles simulations Y Zhang, X Liu, X Lu The Journal of Chemical Physics 157 (22), 2022 | 1 | 2022 |
| Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling Y Zhang, X Liu, ACT van Duin, X Lu, EJ Meijer The Journal of Chemical Physics 160 (9), 094103, 2024 | | 2024 |
| Understanding the unique geochemical behavior of Sc in the interaction with clay minerals Y Zhang, X Liu, X Lu, R Wang American Mineralogist 109 (1), 167-173, 2024 | | 2024 |
Xiandong LiuState Key Laboratory for Mineral Deposits Research, School of Earth Sciences and EngineeringVerified email at nju.edu.cn
