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科研机构
中南大学 [9]
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期刊论文 [9]
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2018 [1]
2017 [1]
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Metal-organic framework-derived porous shuttle-like vanadium oxides for sodium-ion battery application
期刊论文
Nano Research, 2018, 卷号: 11, 期号: 1, 页码: 449-463
作者:
Cai, Yangsheng
;
Fang, Guozhao
;
Zhou, Jiang*
;
Liu, Sainan
;
Luo, Zhigao
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/03
vanadium oxides
metal-organic frameworks
porous structure
density functional theory (DFT) calculation
sodium-ion batteries
Engineering a tubular mesoporous silica nanocontainer with well-preserved clay shell from natural halloysite
期刊论文
Nano Research, 2017, 卷号: 10, 期号: 8, 页码: 2782-2799
作者:
Fu, Liangjie
;
Yang, Huaming*
;
Tang, Aidong
;
Hu, Yuehua*
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/03
halloysite
mesoporous nanotubes
acid leaching
hydrothermal synthesis
density functional theory (DFT) calculation
nanocontainer
A DFT study on the structure–reactivity relationship of aliphatic oxime derivatives as copper chelating agents and malachite flotation collectors
期刊论文
Journal of Industrial and Engineering Chemistry, 2016, 卷号: 46, 页码: 404-415
作者:
Yang, Xianglin
;
Liu, Sheng
;
Liu, Guangyi*
;
Zhong, Hong
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  |  
浏览/下载:2/0
  |  
提交时间:2019/12/03
Aliphatic oxime derivatives
Copper oxide mineral
Structure-reactivity relationship
Density functional theory
Interaction energy
Adsorption and dissociation of H2O on Al(111) surface by density functional theory calculation
期刊论文
Applied Surface Science, 2015, 卷号: 324, 页码: 584-589
作者:
Guo, F.Y.
;
Long, C.G.
;
Zhang, J.
;
Zhang, Z.
;
Liu, C.H.
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/03
Adsorption
Al(1 1 1)
Density functional theory (DFT)
Dissociation
Adsorption of CO on the LaCoO3 (0 0 1) surface by density functional theory calculation
期刊论文
Applied Surface Science, 2014, 卷号: 309, 页码: 128-132
作者:
Sun, Lihui*
;
Li, Guoping
;
Chen, Wen
;
Luo, Fenghua
;
Hu, Jifan
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/03
Density functional theory (DFT)
LaCoO3 (0 0 1) surface
Adsorption energy
Charge transfer
Gemini trisiloxane surfactant: Synthesis and flotation of aluminosilicate minerals
期刊论文
Minerals Engineering, 2014, 卷号: 56, 页码: 145-154
作者:
Huang, Zhiqiang
;
Zhong, Hong*
;
Wang, Shuai
;
Xia, Liuyin
;
Zhao, Gang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
Reverse flotation
Aluminosilicate minerals
Diasporic bauxite ores
Gemini trisiloxane surfactant
Density functional theory (DFT) calculation
A DFT study on the structure-reactivity relationship of thiophosphorus acids as flotation collectors with sulfide minerals: Implication of surface adsorption
期刊论文
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2013, 卷号: 434, 页码: 243-252
作者:
Liu, Guangyi*
;
Xiao, Jingjing
;
Zhou, Diwen
;
Zhong, Hong
;
Choi, Phillip
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/03
Dithiophosphate
Dithiophosphinate
Monothiophosphate
Monothiophosphinate
Density functional theory
Structure–reactivity relationship
Mineral surface
DFT study on surface properties and dissolution trends of Al(1 0 0) surfaces doped with Zn, Ga, In, Sn and Pb
期刊论文
Applied Surface Science, 2011, 卷号: 257, 期号: 9, 页码: 4004-4009
作者:
Liu, Jiancai
;
Zhang, Xinming*
;
Chen, Mingan
;
Li, Li
;
Zhu, Bing
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/03
Density functional theory
Electrochemical dissolution potentials
Mülliken charge population
Surface energy
Work function
Phase stability and alloy-related trends in Ti-Al-N, Zr-Al-N and Hf-Al-N systems from first principles
期刊论文
Surface and Coatings Technology, 2011, 卷号: 206, 期号: 7, 页码: 1698-1704
作者:
Holec, David*
;
Rachbauer, Richard
;
Chen, Li
;
Wang, Lan
;
Luef, Doris
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/03
Density functional theory (DFT)
Hard coatings
TiAlN
ZrAlN
HfAlN
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