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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
福建物质结构研究所 [13]
采集方式
OAI收割 [13]
内容类型
期刊论文 [13]
发表日期
2011 [3]
2010 [4]
2009 [4]
2007 [2]
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专题:福建物质结构研究所
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Electronic Structures and Optical Properties of CuAlX(2) (X=S, Se, Te) Semiconductors with a Chalcopyrite Structure
期刊论文
OAI收割
Acta Physico-Chimica Sinica, 2011, 卷号: 27, 期号: 12, 页码: 2805-2813
H. G. Zhou
;
H. Chen
;
D. Chen
;
Y. Li
;
K. N. Ding
;
X. Huang
;
Y. F. Zhang
收藏
  |  
浏览/下载:503/0
  |  
提交时间:2012/06/06
Density functional theory
Electronic structure
Optical property
Second harmonic generation
Chalcopyrite
total-energy calculations
wave basis-set
solar-cells
spintronics
crystals
exchange
aggase2
solids
zngep2
MnO(2) nanoflakes coated on multi-walled carbon nanotubes for rechargeable lithium-air batteries
期刊论文
OAI收割
Electrochemistry Communications, 2011, 卷号: 13, 期号: 7, 页码: 698-700
J. X. Li
;
N. Wang
;
Y. Zhao
;
Y. H. Ding
;
L. H. Guan
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2012/06/06
Lithium-air batteries
MnO(2)/MWNT cathodes
Electrochemical
performance
Air electrodes
electrode
A DFT Study of Acetonitrile Adsorption and Decomposition on the TiO(2) (110) Surface
期刊论文
OAI收割
International Journal of Quantum Chemistry, 2011, 卷号: 111, 期号: 5, 页码: 915-922
X. J. Zou
;
K. N. Ding
;
Y. F. Zhang
;
J. Q. Li
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2012/06/06
acetonitrile
TiO(2) (110) surface
DFT
adsorption
oxide
spectroscopy
reduction
spectra
cu(100)
energy
oxygen
ch3cn
A DFT Study of 2-Bromothiophene Adsorption on the Rh(111) Surface
期刊论文
OAI收割
Chinese Journal of Structural Chemistry, 2010, 卷号: 29, 期号: 7, 页码: 1051-1060
Z. H. Chen, K. N. Ding, X. L. Xu and J. J. Li
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2012/11/02
2-bromothiophene
Rh(111)
DFT
adsorption
slab model
pd(100) surfaces
thiophene
ni(100)
cu(100)
molecules
pd(111)
co
The First-principles Calculations of H2S Adsorption and Decomposition on the ZnO (0001) Surface
期刊论文
OAI收割
Chinese Journal of Structural Chemistry, 2010, 卷号: 29, 期号: 8, 页码: 1139-1146
G. Y. Yin, K. N. Ding and J. Q. Li
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2012/11/02
ZnO (0001) surface
hydrogen sulfide
DFT
decomposition
thermal
decomposition
chemisorption
photoemission
zno(0001)
energy
s-2
A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface
期刊论文
OAI收割
Chinese Journal of Catalysis, 2010, 卷号: 31, 期号: 1, 页码: 49-55
Z. H. Chen, K. N. Ding, X. L. Xu and J. Q. Li
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2012/11/02
2-chlorothiophene
rhodium
density functional theory
adsorption
slab
model
total-energy calculations
pd(100) surfaces
thiophene
ni(100)
cu(100)
3-chlorothiophene
molecules
exchange
pd(111)
dft
DFT Study of Thiophene Adsorption on the Pd(111) and Pt(111) Surfaces
期刊论文
OAI收割
Chinese Journal of Structural Chemistry, 2010, 卷号: 29, 期号: 3, 页码: 365-376
Z. H. Chen, K. N. Ding, X. L. Xu and J. Q. Li
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2012/11/02
thiophene
palladium
platinum
DFT
calculations
adsorption
(111)
surface
absorption fine-structure
au(111)
molecules
desulfurization
benzene
tetrahydrothiophene
decomposition
chemistry
ni(100)
cu(100)
Structural and Electronic Properties of a W3O9 Cluster Supported on the TiO2(110) Surface
期刊论文
OAI收割
Journal of Physical Chemistry C, 2009, 卷号: 113, 期号: 40, 页码: 17509-17517
J. Zhu, H. Jin, W. J. Chen, Y. Li, Y. F. Zhang, L. X. Ning, X. Huang, K. N. Ding and W. K. Chen
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2012/11/06
scanning tunneling microscope
tiox/mo(112) thin-films
tungsten-oxide
catalyst
(wo3)(3) clusters
zirconia
acidity
isomerization
oxyhydroxide
performance
1-butene
Structural and Electronic Properties of a W3O9 Cluster Supported on the TiO2(110) Surface
期刊论文
OAI收割
Journal of Physical Chemistry C, 2009, 卷号: 113, 期号: 40, 页码: 17509-17517
J. Zhu, H. Jin, W. J. Chen, Y. Li, Y. F. Zhang, L. X. Ning, X. Huang, K. N. Ding and W. K. Chen
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2012/11/06
scanning tunneling microscope
tiox/mo(112) thin-films
tungsten-oxide
catalyst
(wo3)(3) clusters
zirconia
acidity
isomerization
oxyhydroxide
performance
1-butene
A Reasonable Criterion of Reactivities at the Defective Region of Single-Walled Carbon Nanotubes
期刊论文
OAI收割
International Journal of Quantum Chemistry, 2009, 卷号: 109, 期号: 4, 页码: 668-678
G. X. Jia, J. Q. Li, L. G. Chen, Y. Li, K. N. Ding and Y. F. Zhang
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2012/11/06
SWCNTs
Stone-Wales
directional curvature
defect
stone-wales defect
functionalization
chemistry
cycloadditions
sidewalls