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金属研究所 [19]
上海硅酸盐研究所 [2]
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期刊论文 [21]
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2018 [13]
2017 [7]
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Chemistry... [21]
Materials... [13]
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浏览/检索结果:
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学科主题:Chemistry, Physical
内容类型:期刊论文
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Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2018, 卷号: 43, 期号: 46, 页码: 21441-21450
作者:
Liu, ZY
;
Xiong, LY
;
Li, J
;
Liu, S
;
Er, S
收藏
  |  
浏览/下载:222/0
  |  
提交时间:2018/12/25
Vanadium hydrides
Desorption plateau pressure
Metal hydrides
Hardness
Density functional theory
Rhombohedral-Orthorhombic Ferroelectric Morphotropic Phase Boundary Associated with a Polar Vortex in BiFeO3 Films
期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 11, 页码: 11098-11105
作者:
Geng, WR
;
Guo, XW
;
Zhu, YL
;
Tang, YL
;
Feng, YP
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  |  
浏览/下载:39/0
  |  
提交时间:2018/12/25
BiFeO3 ferroelectric films
vortices
morphotropic phase boundary
aberration-corrected scanning transmission electron microscopy
first-principles calculations
The surface energy and stress of metals
期刊论文
SURFACE SCIENCE, 2018, 卷号: 674, 页码: 51-68
作者:
Lee, JY
;
Punkkinen, MPJ
;
Schonecker, S
;
Nabi, Z
;
Kadas, K
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  |  
浏览/下载:20/0
  |  
提交时间:2018/12/25
Surface relaxation
Surface energy
Surface stress
Density-functional theory calculations
Metals
Comprehensive first-principles study of transition-metal substitution in the gamma phase of nickel-based superalloys
期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2018, 卷号: 61, 页码: 41-49
作者:
Chen, WL
;
Xing, WW
;
Ma, H
;
Ding, XY
;
Chen, XQ
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  |  
浏览/下载:36/0
  |  
提交时间:2018/12/25
Nickel-based superalloys
Fcc nickel
Substitution enthalpy
Revealing the Janus Character of the Coke Precursor in the Propane Direct Dehydrogenation on Pt Catalysts from a kMC Simulation
期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 5, 页码: 4694-4704
作者:
Lian, Z
;
Ali, S
;
Liu, TF
;
Si, CW
;
Li, B
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  |  
浏览/下载:18/0
  |  
提交时间:2018/12/25
propane dehydrogenation
kinetic Monte Carlo
density functional theory
platinum catalyst
coke
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
Polarization Rotation in Ultrathin Ferroelectrics Tailored by Interfacial Oxygen Octahedral Coupling
期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 4, 页码: 3681-3688
作者:
Zhang, SR
;
Guo, XW
;
Tang, YL
;
Ma, DS
;
Zhu, YL
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  |  
浏览/下载:24/0
  |  
提交时间:2018/06/05
Electromechanical Response
Solid-solution
Pbtio3 Films
Thin-films
Phase
Enhancement
Crystals
Origin
Fields
Oxides
Direct Determination of Atomic Structure and Magnetic Coupling of Magnetite Twin Boundaries
期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 3, 页码: 2662-2668
作者:
Chen, CL
;
Li, HP
;
Seki, T
;
Yin, DL
;
Sanchez-Santolino, G
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2018/06/05
Transmission Electron-microscopy
Differential Phase-contrast
Perovskite Manganite Films
Total-energy Calculations
Wave Basis-set
Resolution
Field
Anisotropy
Defects
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:41/0
  |  
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
Oxygen Clusters Distributed in Graphene with "Paddy Land" Structure: Ultrahigh Capacitance and Rate Performance for Supercapacitors
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2018, 卷号: 28, 期号: 5, 页码: -
作者:
Liu, Z
;
Jiang, LL
;
Sheng, LZ
;
Zhou, QH
;
Wei, T
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  |  
浏览/下载:31/0
  |  
提交时间:2018/06/05
Functional-groups
Graphite Oxide
Electrochemical Supercapacitors
Reduction
Electrodes
Carbon
Films
Ultracapacitors
Storage
Fibers
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