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兰州大学 [9]
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A First Principles Study of H-2 Adsorption on LaNiO3(001) Surfaces
期刊论文
MATERIALS, 2017, 卷号: 10, 期号: 1-1
作者:
Pan, CC
;
Chen, YH
;
Wu, N
;
Zhang, ML
;
Yuan, LH
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浏览/下载:4/0
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提交时间:2017/05/09
density functional theory
LaNiO3(001)
surface adsorption
conductivity
Organic dyes with imidazole derivatives as auxiliary donors for dye-sensitized solar cells: Experimental and theoretical investigation
期刊论文
DYES AND PIGMENTS, 2014, 卷号: 104
-
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浏览/下载:4/0
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提交时间:2014/12/05
Dye-sensitized solar cells
Organic dyes
Triphenylamine
Imidazole derivatives
Cyanoacetic acid
Density functional theory
Electronic Structure Tuning and Interface Charge Transfer in Hybrid Graphene/Titania and Adatom/Graphene/Titania: First Principles Calculations
会议论文
8th China National Conference on Functional Materials and Applications (NCFMA 2013), Harbin, PEOPLES R CHINA, AUG 23-26, 2013
作者:
Zhang, ZY
;
Sung, DC
;
Hong, SY
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浏览/下载:6/0
  |  
提交时间:2015/07/31
Titania
Photocatalyst
Graphene
First principles calculations
Density functional theory
Influence of Interface Structure on the Properties of ZnO/Graphene Composites: A Theoretical Study by Density Functional Theory Calculations
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 卷号: 117, 期号: 20
-
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浏览/下载:4/0
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提交时间:2014/12/05
Synthesis, physical properties and self-assembly of conjugated donor-acceptor system based on tetrathiafulvalene and functionalized with binding sites
期刊论文
DYES AND PIGMENTS, 2012, 卷号: 94, 期号: 3
-
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浏览/下载:123/0
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提交时间:2014/12/05
Tetrathiafulvalene (TTF)
Donor-acceptor
Binding group
Intramolecular charge transfer
Self-assembly
Density functional theory (DFT)
A theoretical study of thiophenic compounds adsorption on cation-exchanged Y zeolites
期刊论文
APPLIED SURFACE SCIENCE, 2011, 卷号: 257, 期号: 17
-
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浏览/下载:3/0
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提交时间:2014/12/05
Adsorption desulfurization
Cation-exchanged zeolites
Thiophenic compounds
Density functional theory (DFT)
Density functional theory study of the chemisorption of CO on Ir/MgO(100)
期刊论文
APPLIED SURFACE SCIENCE, 2011, 卷号: 257, 期号: 15
-
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浏览/下载:3/0
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提交时间:2014/12/05
Heterogeneous catalysis
Adsorption
Iridium
Density functional theory
Carbon monoxide
Half-metallic antiferromagnetic in Mn2ZnCa
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2011, 卷号: 50, 期号: 7, 页码: 2253-2256
作者:
Wang, WZ
;
Wei, XP
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浏览/下载:3/0
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提交时间:2015/05/25
Half-metallic antiferromagnet
Ternary compound
Electronic structure
Magnetic properties
Density functional theory
Copper Deposition and Growth over ZnO Nonpolar (10(1)over-bar0) and (11(2)over-bar0) Surfaces: A Density Functional Theory Study
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 卷号: 113, 期号: 17
-
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浏览/下载:4/0
  |  
提交时间:2014/12/05
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