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O modified N-doped carbon nanotubes enhanced 2e-oxygen reduction reaction via antibonding activation for efficient antibactrial in netural media
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2024, 卷号: 484, 页码: 9
作者:
Yan, Kexin
;
Qin, Yingnan
;
Xue, Junjie
;
Wang, Jing
;
Wang, Guoqing
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浏览/下载:0/0
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提交时间:2024/06/04
Two-electron oxygen reduction reaction
Hydrogen peroxide
Reactive oxygen species
Antibonding activation
Antibacterial
Cl-induced passivity breakdown in alpha-Fe2O3 (0001), alpha-Cr2O3 (0001), and their interface: A DFT study
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 129, 页码: 70-78
作者:
Yin, Xiaoran
;
Wang, Haitao
;
Han, En-Hou
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浏览/下载:89/0
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提交时间:2022/07/14
Hematite
Chromia
DFT plus U
Interface
Cl-induced depassivation
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:35/0
  |  
提交时间:2022/07/14
Thermal hysteresis
NiTi shape memory alloys
Machine learning
XGBoost
First-principles calculations
Surface Oxygen Vacancies Confined by Ferroelectric Polarization for Tunable CO Oxidation Kinetics
期刊论文
ADVANCED MATERIALS, 2022, 页码: 9
作者:
Ren, Zhaohui
;
Ruan, Luoyuan
;
Yin, Lichang
;
Akkiraju, Karthik
;
Giordano, Livia
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浏览/下载:19/0
  |  
提交时间:2022/09/16
ferroelectrics
polarization screening
surface oxygen vacancies
tunable oxidation reaction
A critical evaluation of the catalytic role of CO2 in propane dehydrogenation catalyzed by chromium oxide from a DFT-based microkinetic simulation
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 18, 页码: 11030-11038
作者:
Zhi, ShuaiKe
;
Lian, Zan
;
Si, ChaoWei
;
Jan, Faheem
;
Yang, Min
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浏览/下载:21/0
  |  
提交时间:2022/07/01
Achieving efficient N-2 electrochemical reduction by stabilizing the N2H* intermediate with the frustrated Lewis pairs
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2022, 卷号: 66, 页码: 628-634
作者:
Chen, Zhe
;
Zhao, Jingxiang
;
Jiao, Yan
;
Wang, Tao
;
Yin, Lichang
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浏览/下载:11/0
  |  
提交时间:2022/07/01
Nitrogen reduction
Electrocatalysis
Intermediate stabilization strategy
Density functional theory
Deposition kinetics and mechanism of pyrocarbon for electromagnetic-coupling chemical vapor infiltration process
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 101, 页码: 118-127
作者:
Hu, Chenglong
;
Zhao, Rida
;
Ali, Sajjad
;
Wang, Yuanhong
;
Pang, Shengyang
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浏览/下载:16/0
  |  
提交时间:2022/07/01
Electromagnetic-coupling chemical vapor
infiltration
CVI
C
C composites
Deposition mechanism
Unravelling the Mechanism of Intermediate-Temperature CO2 Interaction with Molten-NaNO3-Salt-Promoted MgO
期刊论文
ADVANCED MATERIALS, 2021, 页码: 12
作者:
Gao, Wanlin
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浏览/下载:44/0
  |  
提交时间:2022/01/27
CO
(2) capture
energy barriers
MgO-based adsorbents
MgO carbonation
surface defects
Unravelling the Mechanism of Intermediate-Temperature CO2 Interaction with Molten-NaNO3-Salt-Promoted MgO
期刊论文
ADVANCED MATERIALS, 2021, 页码: 12
作者:
Gao, Wanlin
;
Xiao, Jiewen
;
Wang, Qiang
;
Li, Shiyan
;
Vasiliades, Michalis A.
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  |  
浏览/下载:39/0
  |  
提交时间:2022/01/27
CO
(2) capture
energy barriers
MgO-based adsorbents
MgO carbonation
surface defects
DFT and Raman study of all-trans astaxanthin optical isomers
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2021, 卷号: 262
作者:
Yao, Guohua
;
Guo, Shuju
;
Yu, Wenjie
;
Muhammad, Muhammad
;
Liu, Jianguo
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  |  
浏览/下载:66/0
  |  
提交时间:2021/08/30
All-trans astaxanthin
Optical isomers
Raman spectroscopy
DFT
Chiral
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