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Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations
期刊论文
Computational Materials Science, 2022, 卷号: 214
作者:
Guo, Xin
;
Zhou, Jitian
;
Zhang, Xingxing
;
Yang, Ping
;
Ren, Junqiang
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2022/09/22
Alloying
Atoms
Austenite
Calculations
Chemical bonds
Density functional theory
Electrons
Density diagram
Differential charge
First principle calculations
First principles
Heat-resistant steel
Interface energy
Interface property
Orbital electrons
Orbitals
Segregation
Dual-doping in the bulk and the surface to ameliorate the hematite anode for photoelectrochemical water oxidation
期刊论文
Journal of Colloid and Interface Science, 2022, 卷号: 624, 页码: 60-69
作者:
Wang, Tong
;
Gao, Lili
;
Wang, Peng
;
Long, Xuefeng
;
Chai, Huan
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2022/06/20
Electrochemistry
Heterojunctions
Oxidation
Semiconductor doping
Charge carrier density
Co catalysts
Dual doping
Haematite
High charges
Oxidation kinetics
P-n heterojunctions
Photoelectrochemical water oxidation
Photoelectrochemical water splitting
Potential barriers
Origin and strain tuning of charge density wave in LaTe3
期刊论文
PHYSICA B-CONDENSED MATTER, 2022, 卷号: 639
作者:
Hong, Yuanting
;
Wei, Qin
;
Liang, Xin
;
Lu, Wenjian
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2022/12/23
Rare-earth tritelluride
Charge density wave
Electron-phonon coupling
The initial radius of lightning return stroke channel and its relation with discharge intensity
期刊论文
Atmospheric Research, 2022, 卷号: 273
作者:
Wang, Wangsheng
;
Yuan, Ping
;
Huang, Xin
;
Wan, Ruibin
;
Qin, Yuanshuai
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2022/04/21
Lightning
Optical correlation
Electrostatic energies
Initial radius
Internal energies
Lightning discharge
Lightning return stroke
Lightning spectrum
Line charge density
Line charges
Stroke channel
Charge fluctuation of simple substances in 3-dimensional lattices
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2022, 卷号: 1212
作者:
Yang, Yu-Tong
;
Xue, Hong-Tao
;
Tang, Fu-Ling
;
Yao, Xiao-Jun
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2022/06/21
Simple substances
Allotrope
Charge distribution
Oxidation number
Density function theory
Observation and Manipulation of a Phase Separated State in a Charge Density Wave Material
期刊论文
NANO LETTERS, 2022, 卷号: 22
作者:
Walker, Sean M.
;
Patel, Tarun
;
Okamoto, Junichi
;
Langenberg, Deler
;
Bergeron, E. Annelise
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  |  
浏览/下载:13/0
  |  
提交时间:2022/12/23
two-dimensional materials
charge density wave
phase separation
scanning tunneling microscopy
First-principles study of the impact of hydrogen on the adsorption properties of Ti-decorated graphdiyne storage methane
期刊论文
Chemical Physics Letters, 2022, 卷号: 790
作者:
Zhao, Qiuyu
;
Chen, Yuhong
;
Xu, Wenhui
;
Ju, Jiaming
;
Zhao, Yingjie
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2022/04/21
Adsorption
Density functional theory
Hydrogen storage
Titanium compounds
Adsorption capacities
Adsorption properties
CH 4
Density-functional-theory
First principles
First-principle study
Graphdiyne
Methane and hydrogen mixed storage
Negative charge
Ti-decorated
Experimental and DFT-D3 study of sensitivity and sensing mechanism of ZnSnO3 nanosheets to C3H6O gas
期刊论文
JOURNAL OF MATERIALS SCIENCE, 2022, 卷号: 57, 期号: 5, 页码: 3231-3251
作者:
Jiang, Lili
;
Chen, Zhaoyu
;
Cui, Qi
;
Xu, Su
;
Tang, Fuling
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2022/03/01
Acetone
Charge transfer
Chemical detection
Chemical sensors
Density functional theory
Design for testability
Gas detectors
Gases
Nanosheets
Perovskite
Tin compounds
Acetone gas
Density-functional-theory
First principle method
Gas sensitivity
High sensitivity
Perovskite type
Sensing material
Sensing mechanism
Sensitivity mechanisms
Sensitivity tests
Density functional theory research on the adsorption properties of Ti-doped graphene for acetone and other gases
期刊论文
Materials Science in Semiconductor Processing, 2022, 卷号: 138
作者:
Jiang, Lili
;
Chen, Zhaoyu
;
Cui, Qi
;
Xu, Su
;
Hou, Xingang
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2022/02/17
Carbon dioxide
Charge transfer
Density functional theory
Density of gases
Gas adsorption
Gases
Graphene
Adsorbing materials
Adsorption energies
Adsorption properties
Charge-density analysis
Density-functional-theory
First principle calculations
Industrial production
Partial density of state
Ti doped
Ti-doped graphene
Network-Initialized Monte Carlo Based on Generative Neural Networks
期刊论文
CHINESE PHYSICS LETTERS, 2022, 卷号: 39, 期号: 5, 页码: 50701
作者:
Lu, Hongyu
;
Li, Chuhao
;
Chen, Bin-Bin
;
Li, Wei
;
Qi, Yang
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/01/16
CHARGE-DENSITY-WAVE
HUBBARD-MODEL
QUANTUM
PHASES
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