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山东大学 [7]
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湖南大学 [3]
武汉理工大学 [3]
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期刊论文 [34]
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Experimental and DFT studies on corrosion protection performance of epoxy/graphene quantum dots@TiO2 nanotubes coatings
期刊论文
CONSTRUCTION AND BUILDING MATERIALS, 2022, 卷号: 322, 页码: 13
作者:
Ji, Xiaohong
;
Seif, Abdolvahab
;
Duan, Jizhou
;
Rashidi, Alimorad
;
Zhou, Ziyang
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  |  
浏览/下载:18/0
  |  
提交时间:2022/04/12
GQD@TNT nanohybrids
Silane modification
Long-term corrosion resistance
Epoxy coating
DFT study
Gas-based reduction and carbonization of titanium minerals in titanium-bearing blast furnace slag: A combined thermodynamic, experimental and DFT study
期刊论文
International Journal of Hydrogen Energy, 2022, 卷号: 47, 期号: 12, 页码: 7586-7599
作者:
Zhang, Run
;
Hou, Youling
;
Fan, Gangqiang
;
Huang, Dejun
;
Ding, Xiaoming
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  |  
浏览/下载:42/0
  |  
提交时间:2022/04/21
Blast furnaces
Iron oxides
Magnesia
Metal recovery
Perovskite
Reaction kinetics
Temperature
Carbonisation
CH 4
DFT study
Gas-based reductions
High-content
Thermodynamic studies
Titania
Titania-bearing blast furnace slag
Titanium minerals
Titanium-bearing blast furnace slag
Synthesis and PTP1B/TCPTP Inhibitory Activity Evaluation of Novel 2,5-Disubstituted-1,3,4-thiadiazolamide Derivatives Containing Carbazole/Benzimidazole Moity
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2019, 卷号: 39, 期号: 9, 页码: 2599-2608
作者:
Li Yingjun
;
Zhao Yue
;
Jin Kun
;
Gao Lixin
;
Sheng Li
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  |  
浏览/下载:34/0
  |  
提交时间:2020/07/01
1,3,4-thiadiazolamide
carbazole
benzimidazole
synthesis
PTP1B inhibitor
molecular docking
density functional theory (DFT) study
One-Dimensional/Two-Dimensional Core-Shell-Structured Bi2O4/BiO2- x Heterojunction for Highly Efficient Broad Spectrum Light-Driven Photocatalysis: Faster Interfacial Charge Transfer and Enhanced Molecular Oxygen Activation Mechanism.
期刊论文
ACS applied materials & interfaces, 2019, 卷号: 11, 期号: 7, 页码: 7112-7122
作者:
Li, Jun
;
Li, Yuan
;
Zhang, Gaoke*
;
Huang, Hongxia
;
Wu, Xiaoyong
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  |  
浏览/下载:53/0
  |  
提交时间:2019/12/04
Bi2O4/BiO2-x composite
DFT study
anti-photocorrosion
core-shell
molecular oxygen activation
near-infrared light
Enhancement C?H bond activation of methane via doping Pd, Pt, Rh and Ni on Cu(1?1?1) surface: A DFT study
期刊论文
Chemical Physics Letters, 2019, 卷号: 715, 页码: 323-329
作者:
Jiang, Zhao
;
Wu, Zhiqiang
;
Fang, Tao
;
Yi, Chunhai
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  |  
浏览/下载:6/0
  |  
提交时间:2019/11/19
Cu(1 1 1)
DFT study
H-bonds
Minimum energy paths
Non-doped
Physical adsorption
0D Bi nanodots/2D Bi 3 NbO 7 nanosheets heterojunctions for efficient visible light photocatalytic degradation of antibiotics: Enhanced molecular oxygen activation and mechanism insight
期刊论文
Applied Catalysis B: Environmental, 2019, 卷号: 240, 页码: 39-49
作者:
Wang, Kai
;
Li, Yuan
;
Zhang, Gaoke*
;
Li, Jun
;
Wu, Xiaoyong
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  |  
浏览/下载:6/0
  |  
提交时间:2019/12/04
0D/2D heterojunction
Bi 3 NbO 7 nanosheet
Bi nanodot
DFT study
Molecular oxygen activation
Full spectrum light driven photocatalytic in-situ epitaxy of one-unit-cell Bi 2 O 2 CO 3 layers on Bi 2 O 4 nanocrystals for highly efficient photocatalysis and mechanism unveiling
期刊论文
Applied Catalysis B: Environmental, 2019, 卷号: 243, 页码: 667-677
作者:
Li, Jun
;
Wu, Xiaoyong
;
Wan, Zhen
;
Chen, Hong
;
Zhang, Gaoke*
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  |  
浏览/下载:20/0
  |  
提交时间:2019/12/04
Bi 2 O 4 nanocrystals
DFT study
Epitaxy
Full spectrum light
NMR observation
One-unit-cell Bi 2 O 2 CO 3 layers
Synthesis and PTP1B/TCPTP Inhibitory Activity Evaluation of Novel 2,5-Disubstituted-1,3,4-thiadiazolamide Derivatives Containing Carbazole/Benzimidazole Moity
期刊论文
CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2019, 卷号: 39, 页码: 2599-2608
作者:
Li Yingjun
;
Zhao Yue
;
Jin Kun
;
Gao Lixin
;
Sheng Li
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2019/12/02
1,3,4-thiadiazolamide
carbazole
benzimidazole
synthesis
PTP1B inhibitor
molecular docking
density functional theory (DFT) study
Theoretical study on the interaction between SF6 molecule and BaTiO3(001) surface: A DFT study
期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 483
作者:
Cui, Zhaolun
;
Zhang, Xiaoxing
;
Chen, Dachang
;
Tian, Yuan
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  |  
浏览/下载:1/0
  |  
提交时间:2019/12/05
SF6
BaTiO3(001)
Adsorption
DFT study
Hydrophilic side chain assisting continuous ion-conducting channels for anion exchange membranes
期刊论文
JOURNAL OF MEMBRANE SCIENCE, 2018, 卷号: 552, 页码: 286-294
作者:
Pan, Yu
;
Zhang, Qidong
;
Yan, Xiaoming
;
Liu, Jiafei
;
Xu, Xiaowei
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  |  
浏览/下载:7/0
  |  
提交时间:2019/12/02
Anion exchange membrane
Ion-conducting channel
Imidazolium
Oligo(ethylene glycol)
DFT study
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