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科研机构
兰州理工大学 [17]
内容类型
期刊论文 [17]
发表日期
2021 [17]
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共17条,第1-10条
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发表日期:2021
专题:兰州理工大学
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First-principles study on lattice structures and electronic properties of Li1/2La1/2TiO3/Li2S interface
期刊论文
SOLID STATE IONICS, 2021, 卷号: 373
作者:
Zhao, Qing-Shan
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Wei, Cheng-Dong
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2021/12/17
Li1/2La1/2TiO3/Li2S interface
First-principles calculations
Electronic structure
Effects of vertical strain and electric field on the electronic properties and interface contact of graphene/InP vdW heterostructure
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 198
作者:
Lu, Xuefeng
;
Li, Lingxia
;
Guo, Xin
;
Ren, Junqiang
;
Xue, Hongtao
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2021/10/14
Graphene
InP
Heterostructure
Vertical strain
Electric field
Schottky barrier
Electronic and optical properties of the SnO2/CsPbI3 interface: Using first principles calculations
期刊论文
CATALYSIS TODAY, 2021, 卷号: 374, 页码: 208-213
作者:
Hu, Wei
;
Si, Fengjuan
;
Xue, Hongtao
;
Tang, Fuling
;
Li, Wensheng
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2021/10/14
First principles calculations
SnO2 (110) /CsPbI3 interface
Electronic properties
Optical properties
First-principles study on the adsorption structure and electrical properties of P2S5-adsorbed Li2S(110) surface
期刊论文
Surface Science, 2021, 卷号: 710
作者:
Zhao, Fenning
;
Xue, Hongtao
;
Wei, Chengdong
;
Li, Zhou
;
Tang, Fuling
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2021/06/03
Calculations
Cathodes
Composite structures
Electric conductivity
Electronic properties
Lithium batteries
Lithium sulfur batteries
Molecules
Stability
Adsorption energies
Adsorption structures
Electronic conductivity
First-principles calculation
First-principles study
High electrical conductivity
High performance composites
Structural stabilities
The Electronic Characteristic and Optical Properties of Doped Single-Walled Carbon Nanotubes from a First-Principles Study
期刊论文
NANO, 2021, 卷号: 16, 期号: 8
作者:
Wang, K.
;
Cui, Z.
;
Li, L.
;
Lu, X.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2021/10/14
Single-walled carbon nanotubes
doping
electronic structure
optical properties
first-principles
Which of the nickel-rich NCM and NCA is structurally superior as a cathode material for lithium-ion batteries?
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2021, 卷号: 9, 期号: 23, 页码: 13540-13551
作者:
Wang, Bo
;
Zhang, Fei-long
;
Zhou, Xin-an
;
Wang, Peng
;
Wang, Jie
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/10/14
Aluminum compounds
Calculations
Cathode materials
Cathodes
Chemical bonds
Dissolution
Manganese
Manganese compounds
Oxygen vacancies
Precipitation (chemical)
Stability
Chemical compositions
Coprecipitation method
First-principles calculation
Lithium-ion power batteries
Octahedral coordination
Structural stabilities
Systematic research
Transition metal atoms
Unraveling the formation mechanism of hydrogenated vacancy at gamma-Ni/gamma '-Ni3Al phase interface and its roles in interfacial stability and strength
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 194
作者:
Xue, Hong-Tao
;
Li, Ji-Zheng
;
Tang, Fu-Ling
;
Lu, Xue-Feng
;
Ren, Jun-Qiang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2021/10/14
Ni-based superalloys
gamma/gamma ' phase interface
Hydrogenated vacancy
Griffith fracture work
First-principles calculation
Hydrogen embrittlement
Passivation of PEA+to MAPbI3(110) surface states by first-principles calculations
期刊论文
Chinese Physics B, 2021, 卷号: 30, 期号: 4
作者:
Hu, Wei
;
Tian, Ying
;
Xue, Hong-Tao
;
Li, Wen-Sheng
;
Tang, Fu-Ling
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2021/06/03
Electronic properties
Electronic states
Energy gap
Passivation
Surface defects
Surface states
Continuous degradations
Electronic state density
First-principles calculation
Interfacial charge
Lattice structures
Photo-voltaic efficiency
Photosensitive surfaces
Spatial charge distribution
Thermal Transport in Graphene Nanomesh: Unraveling the Role of Brillouin Zone Folding, Phonon Localization and Phonon Confinement
期刊论文
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 2021, 卷号: 165, 页码: -
作者:
Cui, Liu
;
Wei, Gaosheng
;
Li, Zhao
;
Du, Xiaoze
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2021/03/12
Calculations
Graphene
Heat conduction
Molecular dynamics
Phonons
Thermal insulation
First-principles calculation
Insulation applications
Molecular dynamics simulations
Optical phonon modes
Phonon confinement
Phonon dispersions
Phonon localization
Reduction of thermal conductivity
Effect of transition metals doping on electronic structure and optical properties of beta-Ga2O3
期刊论文
MATERIALS RESEARCH EXPRESS, 2021, 卷号: 8, 期号: 2, 页码: -
作者:
Gao, Shanshan
;
Li, Weixue
;
Dai, Jianfeng
;
Wang, Qing
;
Suo, Zhongqiang
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/03/12
first-principles calculation
electronic structure
optical properties
Ga2O3
effective mass
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