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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
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
作者:
Tan, Yongkang
;
Tao, Xiaoma
;
Ouyang, Yifang
;
Peng Q(彭庆)
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  |  
浏览/下载:4/0
  |  
提交时间:2024/02/05
Irida-graphene
Hydrogen storage
Titanium decoration
First-principles calculation
Self-sustained catalytic combustion of CO enhanced by micro fluidized bed: stability operation, fluidization state and CFD simulation
期刊论文
FRONTIERS OF ENVIRONMENTAL SCIENCE & ENGINEERING, 9, 2023, 卷号: 17, 页码: 109
作者:
Zhang, Zirui
;
Zhang, Chenhang
;
Liu, Huan
;
Bin F(宾峰)
;
Wei XL(魏小林)
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  |  
浏览/下载:17/0
  |  
提交时间:2023/06/15
Self-sustained catalytic combustion
Carbon monoxide
Cu1-xCexOy
Fluidized bed
Computational fluid dynamics
Evolution of reaction mechanism in the catalytic combustion of ammonia on copper-cerium mixed oxide
期刊论文
JOURNAL OF CATALYSIS, 2023, 卷号: 425, 页码: 20-31
作者:
Liu, Huan
;
Zhao, Yang
;
Zhang, Chenhang
;
Wang, Zibing
;
Bin F(宾峰)
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  |  
浏览/下载:15/0
  |  
提交时间:2023/07/17
Catalytic combustion
Ammonia
CuO-CeO2
Reaction mechanism
High concentration
Unconventional energetics of small vacancy clusters in BCC high-entropy alloy Nb0.75ZrTiV0.5
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 146, 页码: 61-71
作者:
Shi, Tan
;
Qiu, Xi
;
Zhou, Yundi
;
Lyu, Sixin
;
Li, Jing
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  |  
浏览/下载:91/0
  |  
提交时间:2023/06/15
Refractory high-entropy alloys
Small vacancy clusters
First-principles calculations
Defect energetics
Radiation defect evolution
Nanocomposite Mo-Ag-N lubricating, wear resistant and hard coatings fabricated by magnetron sputtering
期刊论文
MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS, 2022, 卷号: 286
作者:
Zhang, Q. G.
;
Zhou, Y.
;
Zhang, G. J.
;
Zhang, L. C.
;
Xie, Z. M.
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  |  
浏览/下载:25/0
  |  
提交时间:2022/12/23
Molybdenum Nitride
Silver
Magnetron Sputtering
Nanocomposite
Lubricating
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
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  |  
浏览/下载:13/0
  |  
提交时间:2022/07/19
LiFePO4
Mg2+ doping
electron conductivity
lithium-ion battery
electrochemical properties
Atomic Defect Mediated Li-Ion Diffusion in a Lithium Lanthanum Titanate Solid-State Electrolyte
期刊论文
ACS NANO, 2022, 卷号: 16, 期号: 4, 页码: 6898-6905
作者:
Zhang, Lifeng
;
Xu, Lei
;
Nian, Yao
;
Wang, Weizhen
;
Han, You
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/09/16
solid-state electrolytes
lithium lanthanum titanium oxide
transmission electron microscopy
atomic defects
Li diffusion
Revisiting dissolution behavior of interfacial oxides in hot-compression bonding of stainless steel by combination of experiments and first-principles calculations
期刊论文
APPLIED SURFACE SCIENCE, 2022, 卷号: 581, 页码: 9
作者:
Zhang, Honglin
;
Zhou, Gang
;
Sun, Mingyue
;
Xu, Bin
;
Li, Dianzhong
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/07/01
Hot-compression bonding
Interfacial oxides
Dissolution
First-principles calculations
Diffusion
Spreading behavior of Sn droplets impacting Cu and stainless steel substrates
期刊论文
SURFACES AND INTERFACES, 2022, 卷号: 29
作者:
Wang, Xiwushan
;
Yu, Weiyuan
;
Wang, Mingkang
;
Wang, Fengfeng
;
Wu, Baolei
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  |  
浏览/下载:15/0
  |  
提交时间:2022/04/21
Metal droplets
Droplet impinging
Spreading
Droplet diameter
Contact angle
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