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浏览/检索结果: 共35条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 A classical density functional approach to depletion interaction of Lennard-Jones binary mixtures 期刊论文  OAI收割 Communications in Theoretical Physics, 2022, 卷号: 74, 期号: 3 作者:  Chen,Yue;  Chen,Wei;  Chen,Xiaosong   |  收藏  |  浏览/下载：30/0  |  提交时间：2022/06/15 molecular simulation  density functional theory  depletion interaction  soft matter physics  colloid–polymer mixtures   The relationship between failure mechanism of nickel-rich layered oxide for lithium batteries and the research progress of coping strategies: a review 期刊论文  OAI收割 IONICS, 2021, 页码: 36 作者:  Zhu, Boyuan;  Yu, Zhihui;  Meng, Long;  Xu, Ziyang;  Lv, Caixia   |  收藏  |  浏览/下载：115/0  |  提交时间：2021/08/31 Lithium-ion battery  Nickel-rich layered oxide  Mechanism discussion  Modification strategy  Density functional theory simulation   Engineering analog quantum chemistry Hamiltonians using cold atoms in optical lattices 期刊论文  OAI收割 PHYSICAL REVIEW A, 2021, 卷号: 103, 期号: 4, 页码: 43318 作者:  Arguello-Luengo, Javier;  Shi, Tao;  Gonzalez-Tudela, Alejandro   |  收藏  |  浏览/下载：24/0  |  提交时间：2021/09/27 DENSITY-FUNCTIONAL THEORY  SIMULATION  ALGORITHM  PHYSICS  ACCURACY  INSIGHTS  STATES  PHASE   Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries 期刊论文  OAI收割 NANO LETTERS, 2020, 卷号: 20, 期号: 2, 页码: 1252-1261 作者:  Zhou, Guangmin;  Wang, Shiyong;  Wang, Tianshuai;  Yang, Shi-Ze;  Johannessen, Bernt   |  收藏  |  浏览/下载：21/0  |  提交时间：2021/02/02 Single-atom catalysts  lithium-sulfur batteries  catalytic conversion  graphene  density functional theory simulation   Theoretical Calculation Guided Design of Single-Atom Catalysts toward Fast Kinetic and Long-Life Li-S Batteries 期刊论文  OAI收割 NANO LETTERS, 2020, 卷号: 20, 期号: 2, 页码: 1252-1261 作者:  Zhou, Guangmin;  Wang, Shiyong;  Wang, Tianshuai;  Yang, Shi-Ze;  Johannessen, Bernt   |  收藏  |  浏览/下载：20/0  |  提交时间：2021/02/02 Single-atom catalysts  lithium-sulfur batteries  catalytic conversion  graphene  density functional theory simulation   Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies 期刊论文  OAI收割 ACS OMEGA, 2020, 卷号: 5, 期号: 7, 页码: 3151-3164 作者:  Dagdag, Omar;  Safi, Zaki;  Qiang, Yujie;  Erramli, Hamid;  Guo, Lei   |  收藏  |  浏览/下载：126/0  |  提交时间：2020/12/16 CORROSION INHIBITION PERFORMANCE  MOLECULAR-DYNAMICS SIMULATION  DENSITY-FUNCTIONAL THEORY  CARBON-STEEL CORROSION  MILD-STEEL  SCHIFF-BASE  HCL MEDIUM  STEREOCHEMICAL CONFORMATION  QUINOLINE DERIVATIVES  ABSOLUTE HARDNESS   Mechanical peeling of van der Waals heterostructures: Theory and simulations 期刊论文  OAI收割 EXTREME MECHANICS LETTERS, 2019, 卷号: 30, 页码: 11 作者:  Lin H(林慧);  Zhao YP(赵亚溥)   |  收藏  |  浏览/下载：51/0  |  提交时间：2019/09/09 van der Waals heterostructures  Mechanical peeling  Density functional theory  Molecular dynamics simulation  Elasto-peeling length   Effect of Cr Doping on the Surface Characteristics of Ni Metal Studied with First-Principles Calculation 期刊论文  OAI收割 ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2019, 卷号: 32, 期号: 4, 页码: 461-470 作者:  Sun, Xian-Feng;  Wang, Hai-Tao;  Han, En-Hou   |  收藏  |  浏览/下载：24/0  |  提交时间：2021/02/02 Density functional theory  Surface characteristics  Nickel  Cr addition  Atomistic simulation   Mechanism and transfer behavior of ions in Nafion membranes under alkaline media 期刊论文  OAI收割 JOURNAL OF MEMBRANE SCIENCE, 2018, 卷号: 566, 页码: 8-14 作者:  Xu, Wenbin;  Li, Xianfeng;  Hu, Jing;  Zhang, Huamin;  Yuan, Zhizhang   |  收藏  |  浏览/下载：78/0  |  提交时间：2019/06/20 Nafion membrane  Ion transfer mechanism  Density functional theory-based simulation  Zinc iron flow battery