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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:5/0
  |  
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
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2023/12/11
calculations
catalysis
Lithium-sulfur batteries
polysulfides
conversion kinetics
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:21/0
  |  
提交时间:2022/12/23
Lithium ion batteries
TiNb2O7 nanosheets
Mesoporous structure
Synergistic effect
Anode material
Sodium vanadium hexacyanoferrate as a high-rate capability and long-life cathode material for Na-ion batteries
期刊论文
Journal of Energy Storage, 2022, 卷号: 53
作者:
Pan, Zu-Tao
;
He, Zheng-Hua
;
Hou, Jing-Feng
;
Kong, Ling-Bin
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2022/07/20
Cathodes
Charge transfer
Fluorine compounds
Lithium-ion batteries
Sodium compounds
Sodium-ion batteries
Vanadium
Vanadium compounds
Capacity retention
Cathodes material
Electrochemical performance
Hexacyanoferrates
High rate
Na-ion batteries
Prussian blue analogues
Rate performance
Retention rate
Sodium vanadium hexacyanoferrate
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:22/0
  |  
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:14/0
  |  
提交时间:2022/12/23
two-dimensional functional material
lithium storage
anode material
lithium batteries
first-principles computation
Facile synthesis and lithium storage performance of tiny oxygen vacancy-enriched zinc manganate nanoparticles anchored on a reduced graphene oxide nanocomposite
期刊论文
NEW JOURNAL OF CHEMISTRY, 2022, 卷号: 46, 期号: 30, 页码: 14346-14352
作者:
Zhong, Ming
;
Lin, Yasu
;
Yue, Bin
;
Li, Lingling
;
Han, Yuqi
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2022/07/19
Influence Mechanism of Mg2+ Doping on Electrochemical Properties of LiFePO4 Cathode Materials
期刊论文
ACS APPLIED ENERGY MATERIALS, 2022
作者:
Liu, Xingzhong
;
Zhang, Yue
;
Meng, Yanshuang
;
Kang, Tai
;
Gao, Hongfu
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2022/07/19
LiFePO4
Mg2+ doping
electron conductivity
lithium-ion battery
electrochemical properties
Expanded interlayer spacing of graphene oxide achieved by electrostatic cation intercalation towards superior sodium ion storage
期刊论文
IONICS, 2022, 卷号: 28, 期号: 8, 页码: 3833-3842
作者:
Hu, Yu-Xia
;
Zhang, Dong-Ting
;
Tang, Fu-Ling
;
Tian, Chen-Yang
;
Li, Jun
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/07/19
Na+ ion storage
Controllably enlarged interlayer spacing
Graphene oxide
Structure stability
High rate capability
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