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科研机构
中南大学 [62]
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期刊论文 [62]
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2019 [2]
2018 [2]
2017 [2]
2016 [11]
2015 [4]
2014 [6]
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专题:中南大学
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Boosting oxygen reduction activity of Fe-N-C by partial copper substitution to iron in Al-air batteries
期刊论文
Applied Catalysis B: Environmental, 2019, 卷号: 242, 页码: 209-217
作者:
Li, Jingsha
;
Chen, Jiajie
;
Wan, Hao
;
Xiao, Jin
;
Tang, Yougen
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2019/12/03
Non-precious metal electrocatalyst
Cytochrome c oxidase
Al-air batteries
Oxygen reduction reaction
Density functional theory calculations
Application of first-principles theory in ferrite phases of cemented paste backfill
期刊论文
Minerals Engineering, 2019, 卷号: 133, 页码: 47-51
作者:
Qi, Chongchong*
;
Fourie, Andy
;
Chen, Qiusong
;
Liu, Pengfei
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/03
Cemented paste backfill
Ferrite hydration
Structural properties
Electronic properties
First-principles calculations
Functionalized 2D Clay Derivative: Hybrid Nanosheets with Unique Lead Sorption Behaviors and Interface Structure
期刊论文
Advanced Materials Interfaces, 2018, 卷号: 5, 期号: 4, 页码: -
作者:
Yan, Zhaoli
;
Fu, Liangjie
;
Yang, Huaming*
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  |  
浏览/下载:2/0
  |  
提交时间:2019/12/03
2D silica nanosheets
DFT calculations
interface structure
kaolinite
lead adsorption
Ion‐Migration Inhibition by the Cation–π Interaction in Perovskite Materials for Efficient and Stable Perovskite Solar Cells
期刊论文
Advanced Materials, 2018, 卷号: 30, 期号: 31, 页码: -
作者:
Wei, Dong
;
Ma, Fusheng
;
Wang, Rui
;
Dou, Shangyi
;
Cui, Peng
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/03
cation–π interaction
DFT calculations
efficient and stable perovskite solar cells
ion migration inhibition
perovskite materials
Structural, thermodynamic, and mechanical properties of WCu solid solutions
期刊论文
Journal of Physics and Chemistry of Solids, 2017, 卷号: 110, 期号: Volume 110, 页码: 401-408
作者:
Liang, C. P.
;
Wu, C. Y.
;
Fan, J. L.
;
Gong, H. R.*
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
WCu
Thermodynamic property
Mechanical property
First principles calculations
Iron-Doped Cauliflower-Like Rutile TiO2 with Superior Sodium Storage Properties
期刊论文
ACS Applied Materials and Interfaces, 2017, 卷号: 9, 期号: 7, 页码: 6093-6103
作者:
He, Hanna
;
Sun, Dan
;
Zhang, Qi
;
Fu, Fang
;
Tang, Yougen
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
sodium ion battery
Fe-doped TiO2
oxygen vacancies
rate performance
density functional theory calculations
Molybdenum Disulfide‐Coated Lithium Vanadium Fluorophosphate Anode: Experiments and First‐Principles Calculations
期刊论文
ChemSusChem, 2016, 卷号: 9, 期号: 16, 页码: 2122-2128
作者:
Liu, Zhaomeng
;
Peng, Wenjie
;
Xu, Zhenming
;
Shih, Kaimin
;
Wang, Jiexi*
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/03
batteries
first-principle calculations
vanadium fluorophosphates
molybdenum
surface modifications
Competition between Hexagonal and Tetragonal Hexabromobenzene Packing on Au(111)
期刊论文
ACS Nano, 2016, 卷号: 10, 期号: 3, 页码: 3198-3205
作者:
Huang, Han*
;
Tan, Zhiyu
;
He, Yanwei
;
Liu, Jian
;
Sung, Jiatao
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
Au(111)-22x radical3
DFT calculations
LT-STM
halogen bonding
molecular arrangement
Effects of pressure on anisotropic elastic properties and minimum thermal conductivity of D022-Ni3Nb phase: First-principles calculations
期刊论文
Journal of Alloys and Compounds, 2016, 卷号: 688, 页码: 285-293
作者:
Lin, Y. C.*
;
Luo, Shun-Cun
;
Chen, Ming-Song
;
He, Dao-Guang
;
Zhao, Chun-Yang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/03
First-principles calculations
Ni3Nb phase
Elastic properties
Elastic anisotropy
Minimum thermal conductivity
Change of electrostatic potential of mean force between two curved surfaces due to different salt composition, ion valence and size under certain ionic strength
期刊论文
Journal of Physics and Chemistry of Solids, 2016, 卷号: 89, 页码: 53-61
作者:
Zhou, Shiqi*
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/03
C. ab initio calculations
D. thermodynamic properties
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