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科研机构
兰州大学 [79]
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期刊论文 [74]
会议论文 [5]
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2017 [1]
2016 [8]
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chemistry [28]
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浏览/检索结果:
共79条,第1-10条
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专题:兰州大学
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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
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/05/09
density functional theory
LaNiO3(001)
surface adsorption
conductivity
Determine the Role of Alkyl Chains and Hydrogen Bonds in the Assembling Process of Fused Thiophene Indacene Derivatives by Scanning Tunneling Microscopy and Theoretical Calculation
期刊论文
Journal of Physical Chemistry C, 2016, 卷号: 120, 期号: 38, 页码: 21699-21703
作者:
Liu, Zhi-Fei
;
Xu, Huan
;
Duan, Rui-Hong
;
Yang, Zhi-Yong
;
Zhang, Hao-Li
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2017/01/12
Hydrogen bonds
Complexation
Density functional theory
Lamellar structures
Molecules
Scanning tunneling microscopy
Surface defects
Thiophene
Alkyl chain
Assembling process
Balance point
Essential characteristic
Fused thiophene
Optimized models
Surface pattern
Theoretical calculations
Half-metallic ferromagnetism of RbSe and CsTe compounds: A density functional theory study
期刊论文
Chemical Physics Letters, 2016, 卷号: 661, 页码: 89-93
作者:
Xie, Huan-Huan
;
Ma, Run-Yu
;
Gao, Qiang
;
Li, Lei
;
Deng, Jian-Bo
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/01/13
Half-metallicity
Density functional theory
Magnetic properties
Electronic structure
Theoretical Investigation of Novel Tetrathiafulvalene-Triphenylamine Sensitizers
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 8, 页码: 1990-1998
作者:
Weng, XL
;
Wang, Y
;
Jia, CY
;
Wan, ZQ
;
Chen, XM
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/01/12
Triphenylamine
Tetrathiafulvalene
Sensitizer
Density functional theory
Dye-sensitized solar cell
Electronic properties of MoS2 on monolayer, bilayer and bulk SiC: A density functional theory study
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 卷号: 666, 页码: 204-208
作者:
Zan, WY
;
Geng, W
;
Liu, HX
;
Yao, XJ
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/01/12
Molybdenum disulfide
Silicon carbide
Density functional theory
Fabrication of Low Adsorption Energy Ni-Mo Cluster Cocatalyst in Metal-Organic Frameworks for Visible Photocatalytic Hydrogen Evolution
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2016, 卷号: 8, 期号: 17, 页码: 10808-10819
作者:
Zhen, WL
;
Gao, HB
;
Tian, B
;
Ma, JT
;
Lu, GX
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/01/12
NiMo@MIL-101
density functional theory
low adsorption energy
visible photocatalytic hydrogen generation
apparent quantum efficiency
Field emission properties of two-dimensional VS2-ZnO composites: A density functional theory study
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 卷号: 658, 页码: 152-156
作者:
Zan, WY
;
Geng, W
;
Liu, HX
;
Yao, XJ
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/01/11
Density functional theory
VS2-ZnO composites
Field emission
Shape-controlled synthesis of Pd polyhedron supported on polyethyleneimine-reduced graphene oxide for enhancing the efficiency of hydrogen evolution reaction
期刊论文
JOURNAL OF POWER SOURCES, 2016, 卷号: 302, 页码: 343-351
作者:
Li, J
;
Zhou, PP
;
Li, F
;
Ma, JX
;
Liu, Y
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/11
Palladium
Nanocubes
Shape-dependence
Hydrogen evolution reaction
Density functional theory
Theoretical study of the mechanism of the N-heterocyclic carbene-catalyzed cyclotetramerization of acrylates
期刊论文
JOURNAL OF MOLECULAR MODELING, 2016, 卷号: 22, 期号: 1
作者:
Chang, DH
;
Yang, QQ
;
Li, M
;
Fang, R
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/11
Acrylates
Cyclotetramerization
Density functional theory
N-heterocyclic carbene
Reaction mechanism
Piezoelectricity and electronic structures of ZnO thin films: A density functional theory study
期刊论文
SURFACE SCIENCE, 2015, 卷号: 642, 页码: 45-50
作者:
Zhang, AH
;
Liu, W
;
Zhang, Y
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2017/01/13
Piezoelectricity
Size effect
Density functional calculations
Zinc oxide
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