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科研机构
兰州理工大学 [112]
内容类型
期刊论文 [108]
会议论文 [4]
发表日期
2022 [12]
2021 [17]
2020 [15]
2019 [10]
2018 [13]
2017 [14]
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专题:兰州理工大学
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First-principles calculation of the resistance to lead-bismuth eutectic corrosion on Fe (111) surface of austenitic stainless steel
期刊论文
Surface Science, 2022, 卷号: 725
作者:
Long, Xinglin
;
Shi, Jingli
;
Zhu, Jun
;
Wan, Lei
;
Gao, Tao
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2022/08/09
Alloying
Alloying elements
Aluminum corrosion
Atoms
Austenitic stainless steel
Bismuth
Calculations
Corrosion inhibitors
Corrosive effects
Density functional theory
Eutectics
Steel corrosion
Adsorption effect
Adsorption energies
Escape
Fe atoms
First principle calculations
First principles
Lead-bismuth eutectic
Lead-bismuth eutectics
Metal atoms
Unveiling passivation roles of PEA(+) in CsPbI2Br surface
期刊论文
CHEMICAL PHYSICS, 2022, 卷号: 562
作者:
Hu, Wei
;
Si, Fengjuan
;
Yang, Yutong
;
Xue, Hongtao
;
Li, Wensheng
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/08/09
First-principles calculations
Perovskite solar cell
Surface states passivation
Towards tailorable interface microstructure through Solid-state interface reaction between synthetic diamond grits and sputtered Ni-Cr binary alloy
期刊论文
Applied Surface Science, 2022, 卷号: 596
作者:
Cheng, Wei
;
Liu, Zhuo
;
Lin, Qiaoli
;
Huang, Guoqin
;
Xu, Xipeng
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2022/06/20
Binary alloys
Calculations
Carbides
Chromium alloys
Chromium compounds
Crystal orientation
Deformation
Interface states
Microstructure
Phase interfaces
Phase transitions
Single crystals
Superalloys
Catalytic mechanisms
Crystal planes
Diamond grits
First principle calculations
Geometric optimization
Interface mi-crostructure
Interface microstructures
Interface reactions
Phases transformation
Solid-state
Insight into electronic structure and photocatalytic character of GaSe/MoS2 heterostructure by first-principles investigation
期刊论文
Solid State Communications, 2022, 卷号: 353
作者:
Lu, Xuefeng
;
Cui, Tingshu
;
Ren, Junqiang
;
Guo, Xin
;
Xue, Hongtao
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2022/08/09
Binding energy
Calculations
Energy gap
Gallium compounds
Hydrogen production
Lattice mismatch
Layered semiconductors
Light
Light absorption
Molybdenum compounds
Photocatalytic activity
Redox reactions
Selenium compounds
Semiconductor quantum wells
Electronic.structure
First principle calculations
First principles
First-principles investigations
Gase/MoS2
Photo-catalytic
Photocatalytic character
Photocatalytic property
Structure property
Two-dimensional
3D printed geopolymer adsorption sieve for removal of methylene blue and adsorption mechanism
期刊论文
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2022, 卷号: 648
作者:
Jin, Haize
;
Zhang, Yuhang
;
Zhang, Xingxing
;
Chang, Min
;
Li, Cuixia
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2022/06/20
Aromatic compounds
Calculations
Density functional theory
Design for testability
Geopolymers
Hydrogen bonds
Ion exchange
Sieves
3-D printing
3D-printing
Adsorption mechanism
Adsorption properties
Adsorption rates
Density-functional theory calculations
First principles
Geopolymer
Methylene Blue
Optimisations
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
收藏
  |  
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
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
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
收藏
  |  
浏览/下载:38/0
  |  
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
Formation and Performance of Diamond (111)/Cu Interface from First-Principles Calculation
期刊论文
COATINGS, 2022, 卷号: 12, 期号: 5
作者:
Zhao, Yongsheng
;
Yan, Fengyun
;
An, Yi
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2022/06/21
composite
adsorption energies
first principles
ABINIT
Influence of S and Se doping on the electronic characteristic and optical properties of T-carbon by first-principles calculation
期刊论文
MODERN PHYSICS LETTERS B, 2022, 卷号: 36, 期号: 12
作者:
Lu, Xuefeng
;
Zhang, Yongxiang
;
Guo, Xin
;
Ren, Junqiang
;
Xue, Hongtao
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2022/06/21
T-carbon
doping
formation energy
electronic property
first principles
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