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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [4]
半导体研究所 [3]
上海应用物理研究所 [2]
力学研究所 [1]
物理研究所 [1]
计算技术研究所 [1]
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期刊论文 [15]
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2021 [1]
2019 [1]
2018 [2]
2014 [1]
2009 [3]
2008 [2]
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学科主题
半导体物理 [2]
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Investigation of native defects and impurities in X-N (X = Al, Ga, In)
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 9
作者:
Chen, Yingjie
;
Wu, Liyuan
;
Liang, Dan
;
Lu, Pengfei
;
Wang, Jianjun
  |  
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2021/12/01
Group III nitrides
First-principles
Bulk modulus
Defect levels
Formation energies
Real-Time Simulation of Nonequilibrium Nanocrystal Transformations
期刊论文
OAI收割
ADVANCED THEORY AND SIMULATIONS, 2019, 卷号: 2, 期号: 1, 页码: —
作者:
Li, XY
;
Zhu, BE
;
Qi, R
;
Gao, Y
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2019/12/30
ENHANCED ELECTROCATALYTIC ACTIVITY
IN-SITU
HOLLOW NANOSTRUCTURES
METAL NANOPARTICLES
GLOBAL OPTIMIZATION
GENERAL FORMATION
SURFACE ENERGIES
NANOCAGES
GROWTH
STABILITY
Decay modes of highly excited nuclei
期刊论文
OAI收割
NUCLEAR SCIENCE AND TECHNIQUES, 2018, 卷号: 29, 期号: 6, 页码: -
作者:
Zhang, ZF
;
Fang, DQ
;
Ma, YG
  |  
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2018/09/06
Heavy-ion Collisions
Fragment Formation
Critical-behavior
35 Mev/nucleon
Energies
Dynamics
Multifragmentation
Systems
Orthogonal reactivity of Ni(i)Pd(0) dual catalysts for Ullmann C-C cross-coupling theoretical insight
期刊论文
OAI收割
Chemical Communications, 2018, 卷号: 54, 期号: 57, 页码: 7959-7962
作者:
Zhu, B.
;
Yan, L. K.
;
Yao, L. S.
;
Ren, H.
;
Li, R. H.
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/09/17
2-state reactivity
titanium hydride
bond formation
activation
mechanisms
electrophiles
perspective
molecules
energies
benzene
Chemistry
Structural stability and mechanical properties of phosphorus modified Ni-Fe based superalloy GH984
期刊论文
OAI收割
Materials Research Innovations, 2014, 卷号: 18, 页码: 324-330
C.
;
Zhao Wang, H.
;
Guo, Y.
;
Guo, J.
;
Zhou, L.
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2015/05/08
700 degrees C A-USC
Ni-Fe based superalloy GH984
Phosphorus
Structural stability
Mechanical properties
vacancy formation energies
reducing grain-boundary
coal power-plants
solute segregation
dislocation line
alloy
microstructure
boron
First-principles study of magnetic properties of 3d transition metals doped in zno nanowires
期刊论文
iSwitch采集
Nanoscale research letters, 2009, 卷号: 4, 期号: 5, 页码: 480-484
作者:
Shi, Hongliang
;
Duan, Yifeng
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/05/12
First-principles
Transition-metals
Formation energies
Nanowires
Magnetism
Controlling electronic structures by irradiation in single-walled SiC nanotubes: a first-principles molecular dynamics study
期刊论文
OAI收割
nanotechnology, 2009, 卷号: 20, 期号: 7, 页码: art. no. 075708
作者:
Li JB
收藏
  |  
浏览/下载:172/21
  |  
提交时间:2010/03/08
CHEMICAL-VAPOR-DEPOSITION
SILICON-CARBIDE NANOTUBES
FORMATION ENERGIES
CARBON NANOTUBES
BORON-NITRIDE
NANOWIRES
COMPOSITES
DEFECTS
FUSION
First-Principles Study of Magnetic Properties of 3d Transition Metals Doped in ZnO Nanowires
期刊论文
OAI收割
nanoscale research letters, 2009, 卷号: 4, 期号: 5, 页码: 480-484
Shi HL
;
Duan YF
收藏
  |  
浏览/下载:245/55
  |  
提交时间:2010/03/08
First-principles
Transition-metals
Formation energies
Nanowires
Magnetism
Density functional theory study on electronic structure of N-doped ln(2)O(3)
期刊论文
OAI收割
Journal of Molecular Structure-Theochem, 2008, 卷号: 866, 期号: 1-3, 页码: 75-78
S. B. Liu
;
J. Q. Li
;
Y. F. Zhang
;
X. L. Xu and Z. H. Chen
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2013/01/22
Spin-unrestricted
Density functional theory calculations
Formation
energies
Electronic structure
Density of states
codoped tio2 photocatalysts
molecular wave functions
corundum-type
in2o3
population analysis
optical-properties
thin-film
water
oxide
transition
powders
The role of boron on a conventional nickel-based superalloy
期刊论文
OAI收割
Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, 2008, 卷号: 491, 期号: 1-2, 页码: 159-163
P. J. Zhou
;
J. J. Yu
;
X. F. Sun
;
H. R. Guan
;
Z. Q. Hu
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2012/04/13
M951 alloy
grain boundaries
stress-rupture
boron
borides
Ni3Al
grain-boundary segregation
vacancy formation energies
environmental
embrittlement
solute segregation
dislocation line
ni3al
behavior
alloy
polycrystalline
microstructure