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Theoretical Exploration of Properties of Iron-Silicon Interface Constructed by Depositing Fe on Si(111)-(7x7)
期刊论文
MOLECULES, 2023, 卷号: 28, 期号: 20, 页码: 13
作者:
Yin, Jun-Qing
;
Zhang, Yan-Ping
;
You, Yong
;
Wang, Zhen-Hua
;
Zhao, Jian-Qiang
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/11/28
iron
Si(111)-(7x7)
iron-silicon interface
CO adsorption
density functional theory
Activated dissociation of H
2
on the Cu(001) surface: The role of quantum tunneling
期刊论文
CHINESE PHYSICS B, 2023, 卷号: 32
作者:
Yu, Xiaofan
;
Tong, Yangwu
;
Yang, Yong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2023/11/10
H-2
Cu(001)
dissociation
quantum tunneling
density functional theory (DFT)
transfer matrix method
Multi-treatments based on polydimethylsiloxane and metal-organic framework wrapped with graphene oxide for achieving long-term corrosion and fouling protection: experimental and density functional theory aspects
期刊论文
CONSTRUCTION AND BUILDING MATERIALS, 2023, 卷号: 384, 页码: 14
作者:
Zhou, Ziyang
;
Seif, Abdolvahab
;
Pourhashem, Sepideh
;
Duan, Jizhou
;
Rashidi, Alimorad
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2023/12/07
Graphene oxide
Metal-organic frameworks
Nanohybrids
Corrosion resistance
Density functional theory
Study on Vibrational Spectra of Cypermethrin Based on Density Functional Theory
期刊论文
SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 卷号: 43, 期号: 5, 页码: 1381-1386
作者:
Liang Xiao-rui
;
Cong Jing-xian
;
Li Yin
;
Liu Jie
;
Jin Liang-jie
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/01/26
Cypermethrin
Density functional theory
Infrared spectroscopy
Raman spectroscopy
Anti-corrosion and anti-fouling properties of ball-like GQDs hybrided MOFs functionalized with silane in waterborne epoxy-polydimethylsiloxane coatings: Experimental and theoretical studies
期刊论文
APPLIED MATERIALS TODAY, 2023, 卷号: 30, 页码: 16
作者:
Zhou, Ziyang
;
Seif, Abdolvahab
;
Pourhashem, Sepideh
;
Duan, Jizhou
;
Rashidi, Alimorad
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2023/12/13
Graphene quantum dots
Metal-organic frameworks
Hybrids
Corrosion and fouling resistant waterborne
epoxies
Density functional theory
Ground state and fission properties of even-A uranium isotopes from multidimensionally-constrained relativistic mean field model
期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS E, 2023, 页码: 2340004
作者:
Deng, Xiang-Quan
;
Zhou, Shan-Gui
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2023/12/07
DENSITY-FUNCTIONAL THEORY
HARTREE-BOGOLIUBOV THEORY
ACTINIDE NUCLEI
3RD MINIMUM
BARRIERS
DEFORMATION
LIBRARY
HEAVY
In Situ Raman Spectroscopy and DFT Studies of the Phase Transition from Zircon to Reidite at High P-T Conditions
期刊论文
MINERALS, 2022, 卷号: 12, 期号: 12, 页码: 11
作者:
Gao, Yue
;
Zheng, Zhi
;
Zhao, Xia
;
Liu, Yuegao
;
Chen, Jiangzhi
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2023/01/30
zircon
reidite
phase transition
high P-T experiment
diamond anvil cell
in situ Raman spectroscopy
density functional theory
Investigating the effect of PDA/KH550 dual functionalized h-BCN nanosheets and hybrided with ZnO on corrosion and fouling resistance of epoxy coating: Experimental and DFT studies
期刊论文
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2022, 卷号: 10, 期号: 6, 页码: 16
作者:
Mirzaee, Majid
;
Seif, Abdolvahab
;
Rashidi, Alimorad
;
Silvestrelli, Pier Luigi
;
Zhou, Ziyang
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/01/04
Hexagonal boron carbon nitride nanosheet
PDA
KH550
Epoxy coating
Corrosion resistance
Antifouling properties
Density functional theory
Experimental and Theoretical Studies toward Superior Anti-corrosive Nanocomposite Coatings of Aminosilane Wrapped Layer-by-Layer Graphene Oxide@MXene/Waterborne Epoxy
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2022, 页码: 16
作者:
Zhou, Ziyang
;
Seif, Abdolvahab
;
Pourhashem, Sepideh
;
Silvestrelli, Pier Luigi
;
Ambrosetti, Alberto
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/01/04
graphene oxide@MXene 2D nanohybrids
silane functionalization
waterborne epoxy
corrosion resistance
density functional theory
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
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