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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
A Platform for Properties Investigation of Narrow Gap Electrostatic Discharge
会议论文
Beijing, 1-4 Sept. 2022
作者:
Ruan FM
;
Yin L
;
Chai YQ
;
Meng Y(孟洋)
;
Ji QZ
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2022/12/29
Spinel CuB2O4 (B = Fe, Cr, and Al) Oxides for Selective Adsorption of Congo Red and Photocatalytic Removal of Antibiotics br
期刊论文
ACS APPLIED NANO MATERIALS, 2022, 卷号: 5, 期号: 8, 页码: 11194-11207
作者:
Han, Mengjun
;
Wang, Shifa
;
Chen, Xiangyu
;
Liu, Hao
;
Gao, Huajing
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2022/09/22
polyacrylamidegel method
CuAl2O4
adsorption capacity
photocatalytic activity
antibiotic
Giant Tunneling Electroresistance Induced by Interfacial Doping in Pt/BaTiO3/Pt Ferroelectric Tunnel Junctions
期刊论文
PHYSICAL REVIEW APPLIED, 2022, 卷号: 17
作者:
Xiao, Wei
;
Kang, Lili
;
Hao, Hua
;
Zhou, Yanhong
;
Zheng, Xiaohong
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2022/05/16
Ligand binding effects on the activation of the EGFR extracellular domain
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 15, 页码: 8141-8151
作者:
Shao, Qiang
;
Zhu, Weiliang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2020/07/01
Two-Dimensional Amorphous TiO2 Nanosheets Enabling High-Efficiency Photoinduced Charge Transfer for Excellent SERS Activity
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 141, 页码: 5856-5862
作者:
Wang, Xiaotian
;
Shi, Wenxiong
;
Wang, Shaoxiong
;
Zhao, Hewei
;
Lin, Jie
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2019/12/30
Amorphous semiconductors
Charge transfer
Coordination reactions
Density functional theory
Electronic density of states
Energy gap
Molecules
Nanosheets
Raman scattering
Surface scattering
Titanium dioxide
Charge transfer complex
Crystalline counterpart
Electrostatic potentials
First-principles density functional theory
Kelvin probe force microscopy
Photoinduced charge transfer
Semiconductor nanomaterials
Surface enhanced Raman Scattering (SERS)
Substrates
Effect of electron-withdrawing terminal group on BDT-based donor materials for organic solar cells: a theoretical investigation
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 5, 页码: 1-11
作者:
Fu, Lu-Lu
;
Geng, Hua
;
Wang, Guo
;
Duan, Yu-Ai
;
Geng, Yun
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  |  
浏览/下载:26/0
  |  
提交时间:2019/04/09
Small Molecular Organic Solar Cells
Density Functional Theory (Dft)
Electron-withdrawing Terminal Group Modulation
Benzo[1
2:4
5-b ']-dithiophene
Self-assembly of high-index faceted gold nanocrystals to fabricate tunable coupled plasmonic superlattices
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 5, 页码: 3571-3580
作者:
Zhang, Haibin
;
Guan, Chunlin
;
Song, Ning
;
Zhang, Yuanyuan
;
Liu, Hong
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/08/23
Development of a compact D-D neutron generator
期刊论文
JOURNAL OF INSTRUMENTATION, 2018, 卷号: 13, 页码: P01013
作者:
Huang, Z. -W.
;
Wang, J. -R.
;
Wei, Z.
;
Lu, X. -L.
;
Ma, Z. -W.
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  |  
浏览/下载:11/0
  |  
提交时间:2018/05/31
Instrumentation for neutron sources
Accelerator Applications
Instrumentation for particle accelerators and storage rings
low energy (linear accelerators, cyclotrons, electrostatic accelerators)
First-Principles Investigation on the Tribological Properties of h-BN Bilayer Under Variable Load
期刊论文
TRIBOLOGY LETTERS, 2018, 卷号: 66, 期号: 4
作者:
Zhang, Renhui
;
Zhao, Juan
;
Pu, Jibin
;
Lu, Zhibin
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2018/12/04
Hexagonal Boron-nitride
Friction
Composites
Lubrication
Nanosheets
Nanotubes
Graphite
Pressure
Surfaces
Behavior
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