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湖南大学 [156]
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期刊论文 [154]
会议论文 [2]
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2019 [53]
2018 [20]
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Defective MnZrO Solid Solution for the Catalytic Oxidation of Toluene: Insights into the Oxygen Vacancy Contribution
期刊论文
ACS Applied Materials & Interfaces, 2019, 卷号: Vol.11 No.1, 页码: 730-739
作者:
Xueqin Yang
;
Xiaolin Yu
;
Meizan Jing
;
Weiyu Song
;
Jian Liu
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2019/12/13
DFT
calculations
MnxZr1−xO2
solid
solution
molecular
oxygen
activation
oxygen
vacancy
contribution
toluene
oxidation
Effect of atom adsorption on the electronic, magnetic, and optical properties of the GeP monolayer: A first-principle study
期刊论文
Applied Surface Science, 2019, 卷号: Vol.475, 页码: 863-872
作者:
Jing Zhang
;
Gui Yang
;
Junlong Tian
;
Zhi Wang
;
Yanan Tang
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/13
First-principles
calculations
Atom
surface
adsorption
Electronic,
magnetic,
and
optical
properties
GeP
monolayer
Effects of finite temperature on the surface energy in Al alloys from first-principles calculations.
期刊论文
Applied Surface Science, 2019, 卷号: Vol.479, 页码: 499-505
作者:
Wang, Zhipeng
;
Chen, Dongchu
;
Fang, Qihong
;
Chen, Hong
;
Fan, Touwen
收藏
  |  
浏览/下载:63/0
  |  
提交时间:2019/12/13
Al alloys
Finite temperature
First-principles calculations
Solute atoms
Surface energy
Anti-proliferative activity and structure-activity relationship of honokiol derivatives
期刊论文
Bioorganic & Medicinal Chemistry, 2019
作者:
Ding Lin
;
Zhongzhong Yan
;
Aiyu Chen
;
Jiao Ye
;
Aixi Hu
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2019/12/13
Honokiol
Anti-proliferative
Structure-activity relationship
3D-QASR
Theoretical calculations
Interfacial charge behavior modulation in 2D/3D perovskite heterostructure for potential high-performance solar cells
期刊论文
Nano Energy, 2019
作者:
Biao Liu
;
Mengqiu Long
;
Mengqiu Cai
;
Liming Ding
;
Junliang Yang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/13
2D/3D perovskite heterostructure
Charge recombination center
First-principle calculations
Energy level arrangement
Interfacial charge behavior modulation in 2D/3D perovskite heterostructure for potential high-performance solar cells
期刊论文
Nano Energy, 2019, 卷号: Vol.59, 页码: 715-720
作者:
Biao Liu
;
Mengqiu Long
;
Mengqiu Cai
;
Liming Ding
;
Junliang Yang
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/13
2D/3D perovskite heterostructure
Charge recombination center
First-principle calculations
Energy level arrangement
MnO2-decorated hierarchical porous carbon composites for high-performance asymmetric supercapacitors.
期刊论文
Journal of Power Sources, 2019, 卷号: Vol.425, 页码: 1-9
作者:
Xie, Yi
;
Yang, Chao
;
Chen, Peng
;
Yuan, Dingwang
;
Guo, Kunkun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/13
First-principle calculations
Hierarchical porous carbon
Manganese oxide
Supercapacitor
On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study
期刊论文
Journal of Alloys and Compounds, 2019, 卷号: Vol.776, 页码: 807-818
作者:
Yong Zhang
;
Jinming Guo
;
Jianghua Chen
;
Cuilan Wu
;
Karoline Sophie Kormout
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/12/13
Nanocrystalline Cu alloys
Stacking fault energy
Deformation mechanism
First-principles calculations
HRTEM
On the stacking fault energy related deformation mechanism of nanocrystalline Cu and Cu alloys: A first-principles and TEM study.
期刊论文
Journal of Alloys & Compounds, 2019, 卷号: Vol.776, 页码: 807-818
作者:
Zhang, Yong
;
Guo, Jinming
;
Chen, Jianghua
;
Wu, Cuilan
;
Kormout, Karoline Sophie
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2019/12/13
Deformation mechanism
First-principles calculations
HRTEM
Nanocrystalline Cu alloys
Stacking fault energy
Defective ZnS nanoparticles anchored in situ on N-doped carbon as a superior oxygen reduction reaction catalyst
期刊论文
Journal of Energy Chemistry, 2019, 卷号: Vol.39, 页码: 152-159
作者:
Libing Hu
;
Zengxi Wei
;
Feng Yu
;
Huifang Yuan
;
Mincong Liu
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/13
Defective
ZnS
nanoparticle
Zn
vacancy
Electrocatalyst
Oxygen
reduction
reaction
Density
functional
theory
calculations
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