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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
IONICS, 2021, 页码: 36
作者:
Zhu, Boyuan
;
Yu, Zhihui
;
Meng, Long
;
Xu, Ziyang
;
Lv, Caixia
收藏
  |  
浏览/下载:11/0
  |  
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
PHYSICAL REVIEW A, 2021, 卷号: 103, 期号: 4, 页码: 43318
作者:
Arguello-Luengo, Javier
;
Shi, Tao
;
Gonzalez-Tudela, Alejandro
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  |  
浏览/下载:86/0
  |  
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
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
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  |  
浏览/下载:28/0
  |  
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
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:32/0
  |  
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
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
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  |  
浏览/下载:64/0
  |  
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
EXTREME MECHANICS LETTERS, 2019, 卷号: 30, 页码: 11
作者:
Lin H(林慧)
;
Zhao YP(赵亚溥)
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浏览/下载:47/0
  |  
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
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
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  |  
浏览/下载:20/0
  |  
提交时间:2021/02/02
Density functional theory
Surface characteristics
Nickel
Cr addition
Atomistic simulation
Prediction of Ti3C2O2 MXene as an effective capturer of formaldehyde
期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 469, 页码: 770-774
作者:
Zhang, Yujuan[1]
;
Zhou, Zhangjian[2]
;
Lan, Jianhui[3]
;
Zhang, Peihong[4]
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  |  
浏览/下载:5/0
  |  
提交时间:2019/04/22
Indoor formaldehyde removal
Ti3C2O2 MXene
2D materials
Density functional theory
Molecular dynamics simulation
Adsorption
Mechanism and transfer behavior of ions in Nafion membranes under alkaline media
期刊论文
JOURNAL OF MEMBRANE SCIENCE, 2018, 卷号: 566, 页码: 8-14
作者:
Xu, Wenbin
;
Li, Xianfeng
;
Hu, Jing
;
Zhang, Huamin
;
Yuan, Zhizhang
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  |  
浏览/下载:70/0
  |  
提交时间:2019/06/20
Nafion membrane
Ion transfer mechanism
Density functional theory-based simulation
Zinc iron flow battery
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