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科研机构
兰州理工大学 [4]
西安交通大学 [1]
上海大学 [1]
内容类型
期刊论文 [6]
发表日期
2017 [6]
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Li-decorated β12-borophene as potential candidates for hydrogen storage: A first-principle study
期刊论文
Materials, 2017, 卷号: 10, 期号: 12
作者:
Liu, Tingting
;
Chen, Yuhong
;
Wang, Haifeng
;
Zhang, Meiling
;
Yuan, Lihua
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2020/11/14
Calculations
Density functional theory
Electronic structure
Molecules
Adsorption energies
Adsorption site
First-principle study
First-principles calculation
Hydrogen storage capacities
Hydrogen storage properties
Numerical calculation
Storage performance
A first-principles study of gas molecule adsorption on borophene
期刊论文
AIP ADVANCES, 2017, 卷号: 7, 期号: 12
作者:
Liu, Tingting
;
Chen, Yuhong
;
Zhang, Meiling
;
Yuan, Lihua
;
Zhang, Cairong
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/11/15
Adsorption
Ammonia
Calculations
Chemisorption
Electronic properties
Gases
Molecules
Nitrogen oxides
Adsorption energies
Anisotropic structure
Electrical conductivity
Electron acceptor
First-principles study
Gas molecule adsorption
Research interests
Two-dimensional materials
First-principles study of charged steps on 180° domain walls in ferroelectric PbTiO3
期刊论文
Journal of Applied Physics, 2017, 卷号: 122, 期号: 5
作者:
Jiang, Y.X.
;
Wang, Y.J.
;
Chen, D.
;
Zhu, Y.L.
;
Ma, X.L.
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  |  
浏览/下载:17/0
  |  
提交时间:2020/11/14
Atoms
Ferroelectric materials
Lead titanate
Polarization
Titanium compounds
Atomic-scale mechanisms
Domain switchings
Domain wall motion
First principles
First-principles study
Gradual transition
Polarization distributions
Polarization rotation
Width-dependent structural stability and magnetic properties of monolayer zigzag MoS2 nanoribbons
期刊论文
MODERN PHYSICS LETTERS B, 2017, 卷号: 31
作者:
Wen, Yan-Ni
;
Gao, Peng-Fei
;
Chen, Xi
;
Xia, Ming-Gang
;
Zhang, Yang
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  |  
浏览/下载:3/0
  |  
提交时间:2019/11/26
MoS2 nanoribbon
magnetic property
structural stability
first-principles study
High-performance thermal sensitive W-doped VO2(B) thin film and its identification by first-principles calculations
期刊论文
APPLIED SURFACE SCIENCE, 2017, 卷号: 397, 页码: 30-39
作者:
Wan, Dongyun[1]
;
Xiong, Ping[2]
;
Chen, Lanli[3]
;
Shi, Siqi[4]
;
Ishaq, Ahmad[5]
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  |  
浏览/下载:4/0
  |  
提交时间:2019/04/24
VO2(B) thin films
Tungsten doping
Uncooled infrared (IR) detector
First principles study
A first principles study of H2adsorption on LaNiO3(001) surfaces
期刊论文
Materials, 2017, 卷号: 10, 期号: 1
作者:
Pan, Changchang
;
Chen, Yuhong
;
Wu, Na
;
Zhang, Meiling
;
Yuan, Lihua
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  |  
浏览/下载:36/0
  |  
提交时间:2020/11/14
Adsorption
Atoms
Calculations
Chemical bonds
Density functional theory
Dissociation
Electric conductivity
Electronic structure
Iron compounds
Molecules
Nickel compounds
Dissociation energies
Electron localization function
Electron structures
First-principles study
LaNiO3(001)
Optimized structures
Partial dissociation
Surface adsorption
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