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Friction Performance and Mechanism of the Molybdenum Disulfide Film in Carbon Dioxide Atmosphere
期刊论文
ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY, 2020, 卷号: 9, 期号: 5
作者:
Chen, Shibo
;
Huo, Lei
;
Lu, Zhaoxia
;
Pu, Jibin
;
Hou, Baorong
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浏览/下载:125/0
  |  
提交时间:2020/12/16
1ST PRINCIPLES
MONOLAYER MOS2
ADSORPTION
CO2
COATINGS
EVOLUTION
BEHAVIOR
Ab initio thermodynamic optimization of Ni-rich Ni-Co-Mn oxide cathode coatings
期刊论文
JOURNAL OF POWER SOURCES, 2020, 卷号: 450
作者:
Liu, Bo
;
Liu, Jian
;
Yang, Jiong
;
Wang, Da
;
Ye, Caichao
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浏览/下载:37/0
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提交时间:2020/12/16
IMPROVED ELECTROCHEMICAL PERFORMANCE
POSITIVE-ELECTRODE MATERIALS
ATOMIC LAYER DEPOSITION
LINI0.5CO0.2MN0.3O2 CATHODE
THERMAL-STABILITY
CYCLING PERFORMANCE
1ST PRINCIPLES
SIGNIFICANT IMPROVEMENT
PHOSPHO-OLIVINES
LITHIUM
Unifying the diffusion coefficients of lanthanides and actinides in binary molten salt mixtures: A data review
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 297, 页码: -
作者:
Li, XJ
;
Zhang, Y
;
Yue, BH
;
Yan, LM
;
Jiang, T
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浏览/下载:30/0
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提交时间:2021/09/06
EUTECTIC LICL-KCL
ELECTROCHEMICAL-BEHAVIOR
PHYSICOCHEMICAL PROPERTIES
OXOACIDITY REACTIONS
ELECTRODE-REACTION
CATHODIC BEHAVIOR
ALUMINUM CATHODES
HIGH-TEMPERATURE
1ST PRINCIPLES
WELD JOINT
On the abnormal fast diffusion of solute atoms in alpha-Ti: A first-principles investigation
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 740, 页码: 156-166
作者:
Zhang, LJ
;
Chen, ZY
;
Hu, QM
;
Yang, R
;
Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
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浏览/下载:44/0
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提交时间:2018/06/05
Grain-boundary Segregation
Austenitic Stainless-steel
Total-energy Calculations
Augmented-wave Method
Elastic Band Method
Alloying Elements
Self-diffusion
Impurity Diffusion
1st Principles
Saddle-points
First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal
期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69
作者:
Xue, YB
;
Wang, WY
;
Guo, Y
;
Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China.
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浏览/下载:40/0
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提交时间:2018/06/05
Total-energy Calculations
Augmented-wave Method
Doped Basno3
Ab-initio
Barium Stannate
1st Principles
Thin-films
Basis-set
Perovskite
Ceramics
Tunable Catalytic Performance of Single Pt Atom on Doped Graphene in Direct Dehydrogenation of Propane by Rational Doping: A Density Functional Theory Study
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 3, 页码: 1570-1576
作者:
Sun, XY
;
Han, P
;
Li, B
;
Zhao, Z
;
Zhao, Z (reprint author), Shenyang Normal Univ, Inst Catalysis Energy & Environm, Coll Chem & Chem Engn, Shenyang 110034, Liaoning, Peoples R China.
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浏览/下载:29/0
  |  
提交时间:2018/06/05
h Bond Activation
Nanostructured Carbon Catalysts
Total-energy Calculations
Augmented-wave Method
Heterogeneous Catalysis
1st Principles
Basis-set
Platinum
Reactivity
Surfaces
Oxidative dehydrogenation reaction of short alkanes on nanostructured carbon catalysts: a computational account
期刊论文
CHEMICAL COMMUNICATIONS, 2018, 卷号: 54, 期号: 8, 页码: 864-875
作者:
Sun, XY
;
Han, P
;
Li, B
;
Mao, SJ
;
Liu, TF
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2018/06/05
h Bond Activation
Initio Molecular-dynamics
Density-functional Theory
Vanadium-oxide Catalysts
Metal-free Catalysts
Nitric-acid
Mediated Catalysis
Oxygen-adsorption
Styrene Synthesis
1st Principles
Theoretical study of ZrCoH3 and the anti-disproportionation ability of alloying elements
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2018, 卷号: 43, 期号: 22, 页码: 10410-10419
作者:
Yang, G
;
Liu, WG
;
Tan, J
;
Wu, SW
;
Qiu, J
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  |  
浏览/下载:77/0
  |  
提交时间:2018/09/06
Hydrogen Storage Properties
Minimum Energy Paths
Elastic Band Method
Zirconium-cobalt
Tritium Storage
Intermetallic Compound
Thermal-stability
High-temperature
1st Principles
Site Occupancy
A First-Principles Study on the Vibrational and Electronic Properties of Zr-C MXenes
期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2018, 卷号: 69, 期号: 3, 页码: 336-342
作者:
Wang, CY
;
Guo, YL
;
Zhao, YY
;
Zeng, GL
;
Zhang, W
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  |  
浏览/下载:20/0
  |  
提交时间:2018/09/06
1st Principles
Stability
Tho2
Room-Temperature Bound Exciton with Long Lifetime in Monolayer GaN
期刊论文
ACS PHOTONICS, 2018, 卷号: 5, 期号: 10, 页码: 4081-4088
作者:
Lu, Hongliang
;
Zhu, Heyuan
;
Peng, Bo
;
Zhang, Hao
;
Shao, Hezhu
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浏览/下载:71/0
  |  
提交时间:2018/12/04
1st Principles Calculations
Ab-initio Calculation
Energy
Semiconductors
Excitations
Insulators
Absorption
Spectra
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