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科研机构
兰州理工大学 [267]
内容类型
期刊论文 [223]
会议论文 [44]
发表日期
2022 [24]
2021 [35]
2020 [42]
2019 [29]
2018 [24]
2017 [18]
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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:30/0
  |  
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
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:29/0
  |  
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
The controllable electronic characteristics and Schottky barrier of graphene/GaP heterostructure via interlayer coupling and in-plane strain
期刊论文
Materials Science and Engineering B: Solid-State Materials for Advanced Technology, 2022, 卷号: 284
作者:
Lu, Xuefeng
;
Li, Lingxia
;
Guo, Xin
;
Ren, Junqiang
;
Xue, Hongtao
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2022/08/09
Binding energy
Calculations
Gallium compounds
Graphene
Ground state
Heterojunctions
III-V semiconductors
Ohmic contacts
Schottky barrier diodes
Strain
Thermoelectric equipment
Van der Waals forces
Electronic characteristics
Graphene/GaP
In-plane strains
Interlayer coupling
Layer-spacing
Micro/nano
Nanoelectronic devices
P-type
Schottky barriers
Schottky contacts
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:23/0
  |  
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:31/0
  |  
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:35/0
  |  
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:31/0
  |  
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
Direct Determination of Band Gap of Defects in a Wide Band Gap Semiconductor
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2022, 卷号: 14, 期号: 32, 页码: 36875-36881
作者:
Yan, Xuexi
;
Jin, Qianqian
;
Jiang, Yixiao
;
Yao, Tingting
;
Li, Xiang
收藏
  |  
浏览/下载:96/0
  |  
提交时间:2022/09/22
IDBs
band gap
transmission electron microscopy
electron energy-loss spectroscopy
first-principles calculations
AlN
Comparison and theoretical analysis of the photocatalytic performance of Ni2+-Fe3+-CO32−-LDHs and Ni2+-Al3+-CO32−-LDHs
期刊论文
Journal of Molecular Structure, 2022, 卷号: 1262
作者:
Song, Xiaoli
;
Pang, Yaming
;
Yuan, Yuanyuan
;
Fu, Yuxiu
;
Gao, Liguo
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2022/04/21
Calculations
Citrus fruits
Energy gap
Nickel
Photocatalytic activity
Precipitation (chemical)
Wastewater treatment
D orbitals
DFT
Dyes wastewaters
Fe 3+
Homogeneous Precipitation
Hydrotalcites
Low band gap
Ni2+-al3+-CO32−-LDH
Ni2+-fe3+-CO32−-LDH
Single electron
Torsional behaviour of tapered CFDST members with large void ratio
期刊论文
Journal of Building Engineering, 2022, 卷号: 52
作者:
Fan, Jia-Hao
;
Wang, Wen-Da
;
Shi, Yan-Li
;
Ji, Sun-Hang
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/04/21
Axial compression
Concretes
Failure modes
Shear flow
Shear strain
Stress-strain curves
Tubular steel structures
Concrete-filled
Concrete-filled double skin steel tubular
Double skin
Equivalent calculations
Finite element analyse
Hollow ratios
Performance
Tapered member
Torsional behaviors
Torsional performance
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