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兰州理工大学 [12]
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期刊论文 [29]
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2022 [29]
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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
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  |  
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
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
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  |  
浏览/下载:21/0
  |  
提交时间:2022/08/09
First-principles calculations
Perovskite solar cell
Surface states passivation
Elasticity of Mg3Bi2-xSbx
期刊论文
MATERIALS, 2022, 卷号: 15, 期号: 20, 页码: 12
作者:
Peng Q(彭庆)
;
Zhao,Shuai
;
Yuan XZ(袁晓泽)
;
Chen,XiaoJia
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  |  
浏览/下载:13/0
  |  
提交时间:2022/11/21
thermoelectric materials
Mg3Bi2-xSbx
elasticity
first-principle calculation
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
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  |  
浏览/下载:29/0
  |  
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
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浏览/下载:32/0
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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
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  |  
浏览/下载:30/0
  |  
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
Screening for shape memory alloys with narrow thermal hysteresis using combined XGBoost and DFT calculation
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 211, 页码: 7
作者:
Tian, Xiaohua
;
Zhou, Liwen
;
Zhang, Kun
;
Zhao, Qiu
;
Li, Hongxing
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  |  
浏览/下载:32/0
  |  
提交时间:2022/07/14
Thermal hysteresis
NiTi shape memory alloys
Machine learning
XGBoost
First-principles calculations
Segregation and diffusion behaviours of helium at grain boundaries in silicon carbide ceramics: first-principles calculations and experimental investigations
期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42
作者:
Sun, Jingjing
;
You, Yu-Wei
;
Wu, Xuebang
;
Song, Hong-Yue
;
Li, B. S.
收藏
  |  
浏览/下载:143/0
  |  
提交时间:2022/12/23
SiC ceramics
Grain boundaries
Helium segregation
First-principles calculations
Diffusion
One-Step Growth of Bilayer 2H-1T?MoTe2 van der Waals Heterostructures with Interlayer-Coupled Resonant Phonon Vibration
期刊论文
ACS NANO, 2022, 卷号: 16, 期号: 7, 页码: 11268-11277
作者:
Guo, Zenglong
;
Wang, Lei
;
Han, Mengjiao
;
Zhao, Erding
;
Zhu, Liang
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  |  
浏览/下载:15/0
  |  
提交时间:2022/09/16
MoTe2
salt-assisted CVD growth
van der Waals heterostructure
polarized Raman spectroscopy
first-principles calculation
In situ neutron diffraction unravels deformation mechanisms of a strong and ductile FeCrNi medium entropy alloy
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 116, 页码: 103-120
作者:
Tang, L.
;
Jiang, F. Q.
;
Wrobel, J. S.
;
Liu, B.
;
Kabra, S.
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  |  
浏览/下载:23/0
  |  
提交时间:2022/07/01
Medium entropy alloy
Multi-component alloy
Cryogenic temperature
Neutron diffraction
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