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科研机构
兰州理工大学 [3]
合肥物质科学研究院 [1]
内容类型
期刊论文 [4]
发表日期
2022 [4]
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Effects of oxygen concentration and irradiation defects on the oxidation corrosion of body-centered-cubic iron surfaces: A first-principles study
期刊论文
CHINESE PHYSICS B, 2022, 卷号: 31
作者:
Ye, Zhiqiang
;
Lei, Yawei
;
Zhang, Jingdan
;
Zhang, Yange
;
Li, Xiangyan
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浏览/下载:26/0
  |  
提交时间:2022/12/23
oxidation corrosion
oxygen concentration
irradiation defects
bcc-Fe surfaces
first-principles study
First Principle Study on Effects of Al and Fe Doping on Properties of Cr20Ni80 Electrothermal Alloy
期刊论文
Cailiao Daobao/Materials Reports, 2022, 卷号: 36, 期号: 11
作者:
Li, Yamin
;
Zhang, Yaoyao
;
Zhou, Shengrui
;
Liu, Hongjun
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  |  
浏览/下载:22/0
  |  
提交时间:2022/07/20
Aluminum
Binary alloys
Binding energy
Calculations
Chromium alloys
Iron alloys
Al-doping
Cr20ni80 electrothermal alloy
Elastic properties
Fe doping
First principles
First-principle study
Formation heat
Property
Super cell
Supercell model
First-principles Study of Doped (Silicon, Germanium, Tin) Single-wall Carbon Nanotubes
期刊论文
Cailiao Daobao/Materials Reports, 2022, 卷号: 36, 期号: 9
作者:
Lu, Xuefeng
;
Wang, Kuan
;
Cui, Zhihong
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  |  
浏览/下载:37/0
  |  
提交时间:2022/06/20
Absorption spectroscopy
Atoms
Calculations
Semiconductor doping
Single-walled carbon nanotubes (SWCN)
Solar cells
Doped silicon
Doped systems
Electronic.structure
First principles
First-principle study
Germanium tins
Silicon germaniums (SiGe)
Single Wall
Single-wall carbon nanotube
Sn-doped
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
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浏览/下载:20/0
  |  
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
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