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Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
作者:
Tan, Yongkang
;
Tao, Xiaoma
;
Ouyang, Yifang
;
Peng Q(彭庆)
收藏
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浏览/下载:2/0
  |  
提交时间:2024/02/05
Irida-graphene
Hydrogen storage
Titanium decoration
First-principles calculation
Hydrogen trapping in vanadium carbide alloyed with transition metals
期刊论文
NUCLEAR MATERIALS AND ENERGY, 2023, 卷号: 36, 页码: 11
作者:
Tang, Shuai
;
Li, Linxian
;
Yan, Haile
;
Jin, Jianfeng
;
Peng, Qing
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2023/11/28
Hydrogen barrier coating
Vanadium carbide
First-principles calculations
Transition-metal alloying
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
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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
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  |  
浏览/下载:27/0
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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 crystal structure and transformations of the omicron phase O in the Ti-Al-Nb system and on the ambiguity of its subvariants O1 and O2
期刊论文
SCRIPTA MATERIALIA, 2022, 卷号: 219, 页码: 6
作者:
Xu, Shuai
;
Reid, Mark
;
Lin, Junpin
;
Liang, Yongfeng
;
Yang, Liang
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  |  
浏览/下载:36/0
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提交时间:2022/09/16
Omicron Ti2NbAl phase
In-situ neutron diffraction
Phase transformation
Crystal structure
Structure prototype
Y Microstructural evolution and embrittlement of a beta-solidifying gamma-TiAl alloy during exposure at 700 degrees C
期刊论文
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2022, 卷号: 852, 页码: 9
作者:
Zhou, Zhichun
;
Liu, Renci
;
Shen, Yingying
;
Liu, Yin
;
Wang, Peng
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浏览/下载:40/0
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提交时间:2022/09/16
TiAl alloy
Thermal exposure
Microstructural evolution
Tensile properties
Embrittlement
First-principles study on the design of metal-decorated N-doped γ-graphyne as a high capacity CH4adsorbent
期刊论文
Journal of Applied Physics, 2022, 卷号: 132, 期号: 6
作者:
Zhao, Qiuyu
;
Ju, Jiaming
;
Chen, Yuhong
;
Xu, Wenhui
;
Zhao, Yingjie
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  |  
浏览/下载:16/0
  |  
提交时间:2022/09/22
Adsorption
Atoms
Binding energy
Carbon nitride
Chemical bonds
Doping (additives)
Electric fields
Substrates
Titanium
Adsorption energies
Charged substrates
First-principle study
Graphyne
High capacity
Inter-molecular forces
N-doped
Negative charge
Negatively charged
Ti atoms
Visible light in situ driven electron accumulation at the Ti-Mn-O-3 sites of TiO2 hollow spheres for photocatalytic hydrogen production
期刊论文
NEW JOURNAL OF CHEMISTRY, 2022
作者:
Zhang, Yujiao
;
Wang, Yan
;
Zhao, Dan
;
Wang, Baoyu
;
Pu, Ling
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  |  
浏览/下载:18/0
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提交时间:2022/08/09
Effect of surface orientation on reactive wetting of sapphire by Al-Ti alloys at 1273 K
期刊论文
MATERIALS CHEMISTRY AND PHYSICS, 2022, 卷号: 285
作者:
Sui, Ran
;
Chang, Jinghuan
;
Lin, Qiaoli
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  |  
浏览/下载:32/0
  |  
提交时间:2022/06/21
Wettability
Anisotropy
Interfacial energy
Surface
High temperature oxidation behavior of IN738LC alloy formed by selective laser melting
期刊论文
JOURNAL OF MATERIALS SCIENCE, 2022, 卷号: 57, 期号: 25, 页码: 11983-11996
作者:
Hu, Yong
;
Zhang, Hui-Ying
;
Kang, Wen-Jiang
;
Chu, Cheng
;
Hu, Yong-Qi
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  |  
浏览/下载:13/0
  |  
提交时间:2022/07/19
AluminaAluminum oxideChromium compoundsGrain boundariesMeltingMorphologyOxide filmsRate constantsScanning electron microscopyThermooxidationTitanium dioxide
Composition layersHigh temperature oxidation BehaviorIsothermal oxidationsLayer morphologyOptical-Oxidation productsOxide layerSelective laser meltingTemperature conditionsX- ray diffractions
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