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高能物理研究所 [3]
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期刊论文 [10]
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2017 [10]
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Understanding the Solid Solution-Aqueous Solution Equilibria in the KCl + RbCl + H2O System from Experiments, Atomistic Simulation and Thermodynamic Modeling
期刊论文
JOURNAL OF SOLUTION CHEMISTRY, 2017, 卷号: 46, 期号: 9-10, 页码: 1871-1902
作者:
Li, Dongdong
;
Gao, Dandan
;
Zeng, Dewen
;
Li, Wu
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2018/06/20
Kcl + Rbcl + H2o
Solid Solution
Vegard's Rule
Atomistic Simulation
Thermodynamic Modeling
Effects of pressure on structural, electronic, and mechanical properties of alpha, beta, and gamma uranium
期刊论文
Chinese physics b, 2017, 卷号: 26, 期号: 6, 页码: 7
作者:
Zhang, Hui-Jie
;
Li, Shi-Na
;
Zheng, Jing-Jing
;
Li, Wei-Dong
;
Wang, Bao-Tian
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/04/23
First-principles
Structural parameters
Electronic structure
Elastic constants
An NMR Scale for Measuring the Base Strength of Solid Catalysts with Pyrrole Probe: A Combined Solid-State NMR Experiment and Theoretical Calculation Study
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 7, 页码: 3887-3895
作者:
Yi, Xianfeng
;
Li, Guangchao
;
Huang, Ling
;
Chu, Yueying
;
Liu, Zhiqiang
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2017/04/11
A first-principles study on magnetic properties of the intrinsic defects in rutile TiO2
期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 页码: 14
作者:
Lin Qiao-Lu
;
Li Gong-Ping
;
Xu Nan-Nan
;
Liu Huan
;
Wang Cang-Long
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2018/05/31
first-principles
intrinsic defect
density of states
magnetization
Quantitative description on structure-property relationships of Li-ion battery materials for high-throughput computations
期刊论文
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 2017, 卷号: 18, 期号: 1
作者:
Wang, Youwei
;
Zhang, Wenqing
;
Chen, Lidong
;
Shi, Siqi
;
Liu, Jianjun
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  |  
浏览/下载:19/0
  |  
提交时间:2017/04/14
Li-ion battery materials
high throughput screening
quantitative description
structure-property
Theoretical investigation on electronic and mechanical properties of ternary actinide (U, Np, Pu) nitrides
期刊论文
JOURNAL OF APPLIED PHYSICS, 2017, 卷号: 122, 期号: 11, 页码: 115109
作者:
Lan JH(蓝建慧)
;
Zhou, ZJ
;
Zhang, YJ
;
Shi, WQ
;
Chai, ZF
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/08/27
Effects of pressure on structural, electronic, and mechanical properties of alpha, beta, and gamma uranium
期刊论文
CHINESE PHYSICS B中国物理. B, 2017, 卷号: 26, 期号: 6, 页码: 66104
作者:
Li, WD
;
Wang BT(王保田)
;
Li, SN
;
Zheng, JJ
;
Zhang, HJ
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  |  
浏览/下载:19/0
  |  
提交时间:2019/08/27
first-principles
structural parameters
electronic structure
elastic constants
A new metallic carbon allotrope with high stability and potential for lithium ion battery anode material
期刊论文
NANO ENERGY, 2017
Liu, Jie
;
Zhao, Tianshan
;
Zhang, Shunhong
;
Wang, Qian
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  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
Metallic carbon
Global structure search
Structural stability
Li-ion battery
Anode material
ELECTRON LOCALIZATION
1ST PRINCIPLES
GRAPHENE
NANOTUBES
DIAMOND
CLASSIFICATION
DETONATION
PREDICTION
DIFFUSION
CRYSTAL
Designing flexible 2D transition metal carbides with strain-controllable lithium storage
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2017, 卷号: 114, 期号: 52, 页码: E11082-E11091
作者:
Germann, Timothy C.
;
Legut, Dominik
;
Tian, Hongzhen
;
Zhang, Qianfan
;
Zhang, Ruifeng
收藏
  |  
浏览/下载:174/0
  |  
提交时间:2018/12/04
Li-ion Batteries
2-dimensional Titanium Carbide
High Volumetric Capacitance
Energy-storage
High-performance
Anode Materials
1st Principles
Ti3c2 Mxene
Graphene
Intercalation
Orientation-dependent behaviors of H dissolution and diffusion near W surfaces: A first-principles study
期刊论文
International Journal of Modern Physics C, 2017, 卷号: Vol.28 No.7, 页码: 1750090
作者:
Zhang,Chuanguo
;
Zhao,Zhe
;
Li,Yonggang
;
Zeng,Zhi
;
Zhang,Yongsheng
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/04/22
PLASMA-FACING MATERIALS
MINIMUM ENERGY PATHS
ELASTIC BAND METHOD
FLUX D PLASMA
DEUTERIUM RETENTION
LOW-TEMPERATURE
1ST PRINCIPLES
SADDLE-POINTS
HYDROGEN
ADSORPTION
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