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兰州理工大学 [14]
山东大学 [7]
西安交通大学 [5]
上海大学 [5]
北京航空航天大学 [4]
上海应用物理研究所 [4]
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期刊论文 [79]
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2017 [79]
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Phase-field modeling and electronic structural analysis of flexoelectric effect at 180° domain walls in ferroelectric PbTiO3
期刊论文
Journal of Applied Physics, 2017, 卷号: 122, 期号: 22
作者:
Wang, Yu-Jia
;
Li, Jiangyu
;
Zhu, Yin-Lian
;
Ma, Xiu-Liang
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2020/11/14
Calculations
Electric fields
Ferroelectric materials
Ferroelectricity
Lead titanate
Polarization
Structural analysis
Titanium compounds
Electronic charge density
Electronic mechanisms
First-principles calculation
Flexoelectric effects
Nano scale
Phase field models
Phase-field simulation
Spontaneous polarizations
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:3/0
  |  
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:7/0
  |  
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
Li-Decorated (12)-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:10/0
  |  
提交时间:2019/11/15
(12)-borophene
Li-decorated
hydrogen storage
first-principles calculations
Electronic and optical properties of the wurtzite-ZnO/CH3NH3PbI3 interface: first-principles calculations
期刊论文
Journal of Materials Science, 2017, 卷号: 52, 期号: 24, 页码: 13841-13851
作者:
Si, Fengjuan
;
Hu, Wei
;
Tang, Fuling
;
Cheng, Yuwen
;
Xue, Hongtao
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2022/02/17
Binding energy
Calculations
Charge transfer
Electronic properties
II-VI semiconductors
Lattice mismatch
Optical properties
Oxide minerals
Semiconductor quantum wells
Zinc oxide
Zinc sulfide
Atomic charge
Charge density difference
Electronic and optical properties
First-principles calculation
Optical and electronic properties
Orbitals
Wurtzite zno
Effect of structural phase transformations under pressure on electronic and optical properties of CuInS2
期刊论文
Current Applied Physics, 2017, 卷号: 17, 期号: 11, 页码: 1564-1569
作者:
Gao, Bo
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Cheng, Yu-Wen
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2022/02/17
Calculations
Copper compounds
Electronic properties
Energy gap
Free energy
Gibbs free energy
Growth rate
High pressure engineering
Indium compounds
Light absorption
Optical materials
Phase transitions
Structural properties
CuInS2
Electronic and optical properties
Experimental values
First-principles calculation
Plane wave calculations
Semiconductor compounds
Structural phase transformations
Structural phase transition
Effect of structural phase transformations under pressure on electronic and optical properties of CuInS2
期刊论文
CURRENT APPLIED PHYSICS, 2017, 卷号: 17, 期号: 11, 页码: 1564-1569
作者:
Gao, Bo
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Cheng, Yu-Wen
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2019/11/15
CuInS2
First-principles calculation
Pressure-induced structural phase transition
Electronic properties
Optical absorption spectra
Chiral phase transition at 180° domain walls in ferroelectric PbTiO3 driven by epitaxial compressive strains
期刊论文
Journal of Applied Physics, 2017, 卷号: 122, 期号: 13
作者:
Wang, Yu-Jia
;
Zhu, Yin-Lian
;
Ma, Xiu-Liang
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/11/14
Calculations
Chirality
Ferroelectric materials
Ferroelectricity
Lead titanate
Strain
Titanium compounds
Chiral phase transitions
Compressive strain
Domain wall energy
Electronic memory
Ferroelectric domains
First-principles calculation
Polarization and strains
Stress gradient
Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 11
作者:
Zhang, Mingxing
;
Zhang, Yahong
;
Duan, Yuping
;
Song, Lulu
;
Zheng, Daoyuan
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2017/12/20
Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 11
作者:
Zhang, Yahong
;
Duan, Yuping
;
Song, Lulu
;
Zheng, Daoyuan
;
Zhang, Mingxing
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2017/12/20
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