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Bonding configurations of acetylene adsorbed on the Si(100)-2 x surface predicted by density functional cluster model calculations
X. Lu,
Ming-Chang Lin
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引文 斯高帕斯(Scopus)
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Keyphrases
Si(111)
100%
Acetylene
100%
Model Calculation
100%
Density Functional
100%
Functional Clusters
100%
Cluster Model
100%
Bonding Configuration
100%
Adsorption
33%
Adsorption Energy
33%
Bonding Structure
16%
High-resolution Electron Energy Loss Spectroscopy (HREELS)
16%
Vibrational Frequencies
16%
B3LYP
16%
TETRA
16%
Hybrid Density Functional
16%
Surface Model
16%
Surfing
16%
Chemistry
Cluster Model
100%
100-2
100%
dimer
100%
Adsorption Energy
66%
Vibrational Frequency
33%
DFT-B3LYP Calculation
33%
Engineering
Bonding Configuration
100%
Mols
40%
Adsorption Energy
40%
Bonded Structure
20%
Surface Model
20%
Material Science
Density
100%
Surface (Surface Science)
100%
Chemical Engineering
Dimer
100%