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科研机构
湖南大学 [9]
内容类型
期刊论文 [9]
发表日期
2015 [9]
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共9条,第1-9条
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发表日期:2015
专题:湖南大学
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The possibilities to lower the stacking fault energies of aluminum materials investigated by first-principles energy calculations
期刊论文
Computational Materials Science, 2015, 卷号: Vol.108 Part A, 页码: 136-146
作者:
Liu, LH
;
Chen, JH
;
Fan, TW
;
Liu, ZR
;
Zhang, Y
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/31
Stacking fault energy
Solid solution
First-principles energy calculations
Aluminum materials
Influences and mechanisms of graphene-doping on dehydrogenation properties of MgH2: Experimental and first-principles studies
期刊论文
Energy, 2015, 卷号: Vol.89, 页码: 957-964
作者:
Zhang, J
;
Yu, XF
;
Mao, C
;
Long, CG
;
Chen, J
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/31
MgH2
Dehydrogenation properties
Graphene
Doping
First-principles calculations
Strain tuned dehydrogenation thermodynamics of magnesium based hydride: A first principle study
期刊论文
Computational Materials Science, 2015, 卷号: Vol.105, 页码: 71-74
作者:
Zhang, J
;
Mao, C
;
Chen, J
;
Long, CG
;
Tang, K
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/31
Magnesium based hydride
Dehydrogenation thermodynamics
Lattice strain
First-principles calculations
Electronic structure
Composition Dependence of Lithium Diffusion in Lithium Silicide: A Density Functional Theory Study
期刊论文
ChemElectroChem, 2015, 卷号: Vol.2 No.9, 页码: 1292-1297
作者:
Wang, Zhiguo
;
Su, Qiulei
;
Deng, Huiqiu
;
Fu, Yongqing
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  |  
浏览/下载:9/0
  |  
提交时间:2019/12/31
ab initio calculations
composition dependence
density functional theory
diffusion
silicon lithiation
Influences and mechanisms of graphene-doping on dehydrogenation properties of MgH: Experimental and first-principles studies
期刊论文
Energy, 2015, 卷号: Vol.89, 页码: 957-964
作者:
Zhang, J.
;
Yu, X.F.
;
Mao, C.
;
Long, C.G.
;
Chen, J.
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/31
Dehydrogenation
properties
Doping
First-principles
calculations
Graphene
MgH2
First-principles calculations of half-metallic ferromagnetism in zigzag boron-nitride nanoribbons jointed with a single Fe-chain
期刊论文
半导体学报(英文版), 2015, 卷号: No.8, 页码: 15-20
-
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/31
first-principles
calculations
electronic
structure
boron
nitride
nanoribbons
First-principles study of magnetic properties in Co-doped BiFeO3
期刊论文
Physica B: Condensed Matter, 2015, 卷号: Vol.457, 页码: 1-4
作者:
Rong, QY
;
Wang, LL
;
Xiao, WZ
;
Xu, L
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/31
First-principles
calculations
Half-metallic
property
Ferrimagnetism
Perovskite
BiFeO3
Oxygen Deficiency and Defect Chemistry in Delithiated Spinel LiNi0.5Mn1.5O4 Cathodes for Li-Ion Batteries
期刊论文
ChemElectroChem, 2015, 卷号: Vol.2 No.8, 页码: 1182-1186
作者:
Wang, Zhiguo
;
Su, Qiulei
;
Fu, Yongqing
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/31
defects
density functional calculations
lithium-ion batteries
oxygen deficiency
spinel phases
First-principles calculations of half-metallic ferromagnetism in zigzag boron-nitride nanoribbons jointed with a single Fe-chain
期刊论文
Journal of Semiconductors, 2015, 卷号: Vol.36 No.8, 页码: 082003
作者:
Luo Kaiwu
;
Wang Lingling
;
Li Quan
;
Chen Tong
;
Xu Liang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/31
first-principles
calculations
electronic
structure
boron
nitride
nanoribbons
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