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期刊论文 [23]
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Self-assembly of molecular wires on H-terminated Si(100) surfaces driven by London dispersion forces
期刊论文
PHYSICAL REVIEW B, 2011, 卷号: 84, 期号: 24
Li, G
;
Cooper, VR
;
Cho, JH
;
Du, SX
;
Gao, HJ
;
Zhang, ZY
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2013/09/24
NANOSTRUCTURES
SI(100)-(2X1)-H
GROWTH
Addition reactions of nitrones on the reconstructed C(100)-2 x 1 surfaces
期刊论文
journal of molecular structure-theochem, 2008, 卷号: 850, 期号: 1-3, 页码: 72-78
作者:
Wang, Zhiguo
;
Wang, Honglun
;
Liu, Yonjun
;
Suo, Yourui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2009/12/07
nitrone
carbon
surface chemical reaction
density functional calculations
ab initio quantum chemical method and calculations
Addition reactions of nitrones on the reconstructed C(100)-2 x 1 surfaces
期刊论文
Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 2008, 期号: 1, 页码: 72-78
作者:
Wang ZG
;
Wang HL
;
Liu YJ
;
Suo YR
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/26
nitrone
carbon
surface chemical reaction
density functional calculations
ab initio quantum chemical method and calculations
DIELS-ALDER REACTIONS
SI(100)-2X1 SURFACE
CYCLOADDITION REACTIONS
THEORETICAL PREDICTION
CARBONYL-COMPOUNDS
MECHANISM
FUNCTIONALIZATION
CHEMISTRY
ETHYLENE
CHEMISORPTION
Density functional studies on the geometries and electronic structures for the adsorption of acetylene and ethylene molecules on Si(100) surface
期刊论文
Acta Chimica Sinica, 2007, 卷号: 65, 期号: 14, 页码: 1305-1312
G. P. Qin
;
Y. P. Cai
;
B. L. Xing
;
Y. Li
;
Y. F. Zhang
;
J. Q. Li
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2013/04/01
density functional theory
Si(100) surface
ethylene
acetylene
band
structure
total-energy calculations
wave basis-set
first-principles
si(001)2x1
surface
room-temperature
hartree-fock
band-gaps
c2h2
chemistry
hydrogen
Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface
期刊论文
Chemical Physics, 2006, 卷号: 323, 期号: 2-3, 页码: 383-390
H. Y. Xiao
;
X. T. Zu
;
Y. F. Zhang
;
F. Gao
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2012/04/14
first-principles calculations
rubidium
adsorption
silicon
adsorbed si(100) surfaces
angle-resolved photoemission
potassium
double-layer
x-ray-diffraction
photoelectron-spectroscopy
2x1-k
surface
cs
si(001)-(2x1)
overlayer
cesium
Processing of an atomically smooth Ge(001) surface on a large scale
期刊论文
NANOTECHNOLOGY, 2006, 卷号: 17, 期号: 9, 页码: 2396
Qin, ZH
;
Shi, DX
;
Ji, W
;
Pan, SJ
;
Gao, HJ
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2013/09/24
SCANNING-TUNNELING-MICROSCOPY
GE CLUSTERS
DEFECTS
RECONSTRUCTION
SI(100)-2X1
SI(001)
AG
Quantum chemical study of surface reactions of glycine on the Si(100)-2x1 surface (vol 569, pg 12, 2004)
期刊论文
surface science, 2005, 卷号: 580, 期号: 1-3, 页码: 218-220
作者:
Qu, YQ
;
Wang, Y
;
Li, J
;
Han, KL
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  |  
浏览/下载:14/0
  |  
提交时间:2015/11/10
Adsorption and decomposition of FCN on Si(100)-(2x1) surface: A density functional theory study
期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 卷号: 724, 页码: 25-30
作者:
Hu, JM
;
Li, Y
;
Zhang, YF
;
Li, JQ
;
Chen, Y
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/11/26
density functional theory
adsorption
Si (100) surface
FNC
decomposition
FCN
Diradical mechanisms for the cycloaddition chemistry of ethylene on X(100) surfaces (X = C, Si, and Ge)
期刊论文
http://dx.doi.org/10.1021/jp049329n, 2004
Lu, X.
;
Zhu, M. P.
;
Wang, X. L.
;
吕鑫
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2013/12/12
DIELS-ALDER REACTIONS
C(100)-2 X-1 SURFACE
1,3-DIPOLAR CYCLOADDITIONS
SILICON(001) SURFACE
SEMICONDUCTOR SURFACES
THEORETICAL PREDICTION
SI(100)-2X1 SURFACE
ADSORPTION
DENSITY
FUNCTIONALIZATION
Ab initio structural characterization of a hydrogen-covered diamond (001) surface
期刊论文
PHYSICAL REVIEW B, 2004, 卷号: 70, 期号: 12
Yu, Y
;
Gu, CZ
;
Xu, LF
;
Zhang, SB
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2013/09/17
SCANNING-TUNNELING-MICROSCOPY
SATURATED SI(100) SURFACE
TOTAL-ENERGY CALCULATIONS
WAVE BASIS-SET
C(100) SURFACES
DIMER RECONSTRUCTION
CHEMISORPTION
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