中国科学院机构知识库网格系统: 检索

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	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：29/0 \| 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
	Unsaturated edge-anchored Ni single atoms on porous microwave exfoliated graphene oxide for electrochemical CO2 期刊论文 OAI收割 APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 243, 页码: 294-303 作者: Cheng, Yi; Zhao, Shiyong; Li, Haobo; He, Shuai; Veder, Jean-Pierre \| 收藏 \| 浏览/下载：15/0 \| 提交时间：2021/02/02 Ni single-atom catalysts Edge-anchored Defects Electrochemical CO2 reduction Density functional simulation
	Unsaturated edge-anchored Ni single atoms on porous microwave exfoliated graphene oxide for electrochemical CO2 期刊论文 OAI收割 APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 243, 页码: 294-303 作者: Cheng, Yi; Zhao, Shiyong; Li, Haobo; He, Shuai; Veder, Jean-Pierre \| 收藏 \| 浏览/下载：14/0 \| 提交时间：2021/02/02 Ni single-atom catalysts Edge-anchored Defects Electrochemical CO2 reduction Density functional simulation