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Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li
10
GeP
2
S
12
Solid Electrolyte
期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
作者:
Qi, Changlin
;
Zhou, Yuwei
;
Yuan XZ(袁晓泽)
;
Peng Q(彭庆)
;
Yang, Yong
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/05/27
Li10GeP2S12 solid electrolyte
first-principles calculation
Ewald-summation-based electrostatic energy
machine learning- and active-learning-based LAsou method
ab initio molecular dynamics
Theoretical Calculations Facilitating Catalysis for Advanced Lithium-Sulfur Batteries
期刊论文
MOLECULES, 2023, 卷号: 28, 期号: 21, 页码: 27
作者:
Fang, Xue-Ting
;
Zhou, Lei
;
Chen CG(陈春光)
;
Danilov, Dmitri L.
;
Qiao, Fen
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  |  
浏览/下载:8/0
  |  
提交时间:2023/12/11
calculations
catalysis
Lithium-sulfur batteries
polysulfides
conversion kinetics
Mixed hydrogen isotopes plasma-driven permeation through CLF-1 RAFM steel for ITER HCCB TBM
期刊论文
NUCLEAR FUSION, 2022, 卷号: 62
作者:
Liu, Cai-Bin
;
Zhou, Hai-Shan
;
Li, Xue-Chun
;
Liu, Hao-Dong
;
Wang, Lu
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2022/12/22
tritium
permeation
mixture plasma
isotope effects
TBM
RAFM steel
Utilizing fast ion conductor for single-crystal Ni-rich cathodes to achieve dual-functional modification of conductor network constructing and near-surface doping
期刊论文
Energy Storage Materials, 2022, 卷号: 52, 页码: 19-28
作者:
Zhou, Xin'an
;
Zhang, Feilong
;
Fu, Xiaolan
;
Zhang, Ningshuang
;
Huang, Jin
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2022/08/09
Aluminum compounds
Cathodes
Crystal structure
Density functional theory
Doping (additives)
Electric discharges
Electrolytes
Lanthanum compounds
Lithium compounds
Lithium-ion batteries
Metal ions
Network layers
Nickel oxide
Niobium
Niobium compounds
Sintering
Cutoff voltage
Dual-functional modification
Fast-ion conductors
Functional modification
High cut-off voltage
High-voltages
Interfacial instability
Lini0.8co0.15al0.05O2
Near surfaces
Ni-rich cathode
Mesoporous TiNb2O7 nanosheets anode with excellent rate capability and cycling performance in lithium ion half/full batteries
期刊论文
JOURNAL OF POWER SOURCES, 2022, 卷号: 544
作者:
Liang, Dewei
;
Lu, Yu
;
Hu, Lei
;
Wang, Lili
;
Liang, Sheng
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/12/23
Lithium ion batteries
TiNb2O7 nanosheets
Mesoporous structure
Synergistic effect
Anode material
3D printed geopolymer adsorption sieve for removal of methylene blue and adsorption mechanism
期刊论文
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2022, 卷号: 648
作者:
Jin, Haize
;
Zhang, Yuhang
;
Zhang, Xingxing
;
Chang, Min
;
Li, Cuixia
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  |  
浏览/下载:31/0
  |  
提交时间:2022/06/20
Aromatic compounds
Calculations
Density functional theory
Design for testability
Geopolymers
Hydrogen bonds
Ion exchange
Sieves
3-D printing
3D-printing
Adsorption mechanism
Adsorption properties
Adsorption rates
Density-functional theory calculations
First principles
Geopolymer
Methylene Blue
Optimisations
Formation process and oxidation behavior of MCrAlY plus AlSiY composite coatings on a Ni-based superalloy
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 120, 页码: 65-77
作者:
Li, S. M.
;
Fu, L. B.
;
Zhang, W. L.
;
Li, W.
;
Sun, J.
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2022/07/01
Composite coating
Annealing
Arc ion plating
SEM
Oxidation
Influence of the SEI Formation on the Stability and Lithium Diffusion in Si Electrodes
期刊论文
ACS OMEGA, 36, 2022, 卷号: 7, 页码: 2147483647
作者:
Wu, Baolin
;
Chen CG(陈春光)
;
Danilov, Dmitri L.
;
Jiang, Ming
;
Raijmakers, Luc H. J.
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2022/10/23
Ultrahigh Lithium Storage Capacity of Al2C Monolayer in a Restricted Multilayered Growth Mechanism
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2022, 卷号: 14
作者:
Lu, Ning
;
Wang, Kai
;
Jiang, Jiaxin
;
Guo, Hongyan
;
Zuo, Gui Zhong
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2022/12/23
two-dimensional functional material
lithium storage
anode material
lithium batteries
first-principles computation
Performance Degradation of Fiber-Reinforced Concrete under Freeze-Thaw Cycles and Its Resistance to Chloride Ion Penetration
期刊论文
Journal of Materials in Civil Engineering, 2022, 卷号: 34, 期号: 8
作者:
Li, Jiangchuan
;
Chang, Jun
;
Qiao, Hongxia
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2022/06/20
Bending strength
Chlorine compounds
Elastic moduli
Fiber reinforced materials
Fibers
Freezing
Frost resistance
Ions
Polyvinyl alcohols
Reinforced concrete
Thawing
Chloride ion penetration
Chloride ions
Dynamic elastic moduli
Fiber-reinforced concretes
Freeze-thaw cycles
Mass loss
Penetration resistances
Polyvinyl alcohol fiber-reinforced concrete
Polyvinyl alcohol fiber
Resistance to chloride ion penetration
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