• Bulletin of the Korean Chemical Society
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• v.34 no.1
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• pp.68-74
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• 2013

The surface enhanced Raman spectrum of juglone, a traditional natural dye, has been observed by a custom-built micro-Raman setup. The spectral features of juglone significantly differ from those of lawsone, a structural isomer of juglone; only small red shifts of the double bond stretching bands are observed, and strong SERS bands are observed in the lower frequency regions as well. The DFT computations reveal that juglone coordinated to an $Ag^+$ adatom with $H^+$ release best correlates with the observed vibrational characteristics in the SERS spectrum among the plausible configurations of juglone coordinated to an adatom on the Ag surface, in line with the previously studied lawsone case. The differences in the SERS spectra of juglone and lawsone are attributed to the different locations of the hydroxyl group in the two isomers.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2000.11a
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• pp.476-479
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• 2000

In this study, mesh-type PECVD system was suggested to minimize the hydrogen concentration. The main structural difference between the triode system and a conventional system is that a mesh was attached to the substrate holding electrode. We investigated several conditions to compare with conventional PECVD. The main effect of mesh was to minimize the substrate damage by ion bombardment and to enhance the surface reaction to induce hydrogen desorption. It was also found that hydrogen concentration decreased but deposition rate increased as increasing applied dias. Applied DC bias enhanced sputtering process. Intense ion bombardment causes the weakly bonded hydrogen or hydrogen-containing species to leave the growing film and increased adatom mobility. Furthermore, addition of hydrogen gas enhance the surface diffusion of adatom. The structural properties of poly-Si films were analyzed by scanning electron microscopy(SEM).

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.127.1-127.1
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• 2013

Recent experimental evidence that fluorinated graphene creates local magnetic moments around F adatoms has not been supported by semilocal density-functional theory (DFT) calculations where the adsorption of an F adatom induces no magnetic moment in graphene. Here, we show that such an incorrect prediction of the nonmagnetic ground state is due to the self-interaction error inherent in semilocal exchange-correlation functionals. The present hybrid DFT calculation for an F adatom on graphene predicts not only a spin-polarized ground state with a spin moment of ${\sim}1{\mu}_B$, but also a long-range spin polarization caused by the bipartite nature of the graphene lattice as well as the induced spin polarization of the graphene states. The results provide support for the experimental observations of local magnetic moments in fluorinated graphene.

• Proceedings of the Korean Vacuum Society Conference
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• 2009.02a
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• pp.223.1-223.1
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• 2009

• Proceedings of the Korean Magnestics Society Conference
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• 2009.05a
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• pp.138-138
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• 2009

• Proceedings of the Korean Vacuum Society Conference
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• 2003.08a
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• pp.83-83
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• 2003

• Proceedings of the Korean Vacuum Society Conference
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• 2006.08a
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• pp.84-84
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• 2006

• Proceedings of the Materials Research Society of Korea Conference
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• 1998.08a
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• pp.83.4-83
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• 1998

• Journal of the Korean Vacuum Society
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• v.15 no.1
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• pp.50-56
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• 2006

We investigated the adsorption of benzene and pyridine on $Si(5\;5\;12)-2\times1$ at 80 K by using variable-low temperature scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The benzene molecule most strongly binds to two adatoms on the D3 and D2 units in a tilted butterfly configuration, which consists of $di-\sigma$ bonds between C atoms and Si adatoms and two C=C double bonds in the benzene molecule Pyridine molecules interact with adatom(s) on the D2 and D3 units through both Si-N dative bonding and $di-\sigma$ bonds. The dative bonding through the lone pair electrons of N atom produces a vertical configuration (pyridine-like), which is more stable than $di-\sigma$ bonds $Di-\sigma$ bonds can be formed either through Si-N1 and Si-C4 or Si-C2 and Si-C5.

• Journal of the Korean Vacuum Society
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• v.17 no.5
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• pp.387-393
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• 2008

Using a first-principles total-energy method, we investigate structural and energy changes on Ag/Si(111)$\sqrt{3}{\times}\sqrt{3}$($\sqrt{3}-Ag$ hereafter) as the number of the additional Ag adatoms increases. The Ag coverage varies from 0.02 to 0.14 ML. Most Ag adatoms occupy the ST site, which is the center of small triangles of the substrate Ag layer that is composed of small and large triangles. One of the interesting adsorption features is that the adatoms immerse below the substrate layer. The total energy calculations show that the clusters become the most stable when the number of Ag atoms is three. This three-Ag cluster becomes the building block of the $\sqrt{21}{\times}\sqrt{21}$ phase that shows a large surface conductivity. The simulated STM images show that the adatoms look dark in filled-state images while bright in empty-state images. This suggests that the adatoms donate their charge to the substrate. The simulated STM images agree well with the experimental images.