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Theoretical and experimental investigations about the role of MXene nanosheets covered with ZnO quantum dots on barrier resistance of epoxy coatings
期刊论文
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2024, 卷号: 12, 期号: 1, 页码: 15
作者:
Pourhashem, Sepideh
;
Seif, Abdolvahab
;
Zhou, Ziyang
;
Ji, Xiaohong
;
Sgroi, Mauro Francesco
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2024/04/07
Hybrid of MXene@ZnO QDs
Silane functionalization
Epoxy coating
Corrosion resistance
DFT studies
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
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:22/0
  |  
提交时间:2022/08/09
First-principles calculations
Perovskite solar cell
Surface states passivation
Improved Solubility in Metavalently Bonded Solid Leads to Band Alignment, Ultralow Thermal Conductivity, and High Thermoelectric Performance in SnTe
期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022
作者:
Liu, Yuqi
;
Zhang, Xuemei
;
Nan, Pengfei
;
Zou, Bo
;
Zhang, Qingtang
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/12/22
band alignments
materials designs
metavalent bonding
solubility limits
thermoelectric
Density functional theory study of adsorption of ionic liquids on graphene oxide surface
期刊论文
CHEMICAL ENGINEERING SCIENCE, 2021, 卷号: 245, 页码: 13
作者:
He, Yanjing
;
Guo, Yandong
;
Yan, Fang
;
Yu, Tianhao
;
Liu, Lei
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  |  
浏览/下载:72/0
  |  
提交时间:2021/11/01
Ionic liquids
Graphene oxide
Density functional theory
Adsorption
Selenium-doped carbon nanotubes/nickel selenide coaxial nanocables for energy storage
期刊论文
JOURNAL OF POWER SOURCES, 2021, 卷号: 514
作者:
Jin, Fangzhou
;
Li, Mingjie
;
Xie, Lixiang
;
Jiang, Jinlong
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  |  
浏览/下载:13/0
  |  
提交时间:2021/12/17
Carbon nanotube
Nickel selenide
Coaxial nanocable
Supercapacitor
Lithium-ion battery
Interaction between Al and other alloying atoms in alpha-Ti for designing high temperature titanium alloy
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 197, 页码: 11
作者:
Cao, Shuo
;
Zhang, Shang-Zhou
;
Liu, Jian-Rong
;
Li, Shu-Jun
;
Sun, Tao
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  |  
浏览/下载:116/0
  |  
提交时间:2021/10/15
Titanium alloys
Thermal strength
Thermal stability
Interaction energy
First principles calculations
Multiple-Ring Aromatic Spacer Cation Tailored Interlayer Interaction for Efficient and Air-Stable Ruddlesden-Popper Perovskite Solar Cells
期刊论文
SOLAR RRL, 2021, 页码: 8
作者:
Liu, Chang
;
Liu, Rui
;
Bi, Zhuoneng
;
Yu, Yue
;
Xu, Gang
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2021/10/27
air stable solar cells
charge carrier transport
interlayer interaction
2D Ruddlesden-Popper perovskites
Roles of the Narrow Electronic Band near the Fermi Level in 1T-TaS2-Related Layered Materials
期刊论文
PHYSICAL REVIEW LETTERS, 2021, 卷号: 126
作者:
Wen, Chenhaoping
;
Gao, Jingjing
;
Xie, Yuan
;
Zhang, Qing
;
Kong, Pengfei
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2021/08/30
Structural and Electronic Properties of (HfH2)(n) (n=5-30) Clusters: Theoretical Investigation
期刊论文
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2021, 卷号: 128, 页码: 9
作者:
Soomro, Irfan Ali
;
Lv, Na
;
Lakhan, Muhammad Nazim
;
Shar, Altaf Hussain
;
Ahmed, Mukhtiar
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  |  
浏览/下载:46/0
  |  
提交时间:2021/10/15
DFT
Structural properties
Electronic properties
Metallic hydrides
HfH2 duster
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