• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2002.07a
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• pp.314-317
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• 2002

Since the early work of Tersoff and Hamann on the theory of the scanning tunneling microscope (STM), many theoretical approaches have been developed in order to gain further physical insight into the real space image that this technique provides. In this Paper, the STM image of Carbon nanotubes (CNT's) was calculated through the theoretical study. The optimized structure of CNT's was simulated using Brenner's hydrocarbon potential. The structure of simulation is (5. 5) armchair CNT and (10. 0) zigzag CNT. Also we have used that the extended Huckel tight binding (EHTB) theory already provides a fairly good qualitative description of the main processes that control the final contrast in the STM image. we found that the shape of the calculated images is hardly dependent on the exact electronic charge distribution at the surface. The STM images are not too sensitive to the precise electronic structure but, rather, they reflect its qualitative features. As a result of the simulation, The STM images of CNT's and the electronic density distribution were investigated. It found that the EHTB theory is appropriate for STM image calculation and that the STM images are in agreement with the result of Experiment.

• Bulletin of the Korean Chemical Society
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• v.28 no.1
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• pp.81-84
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• 2007

Ab initio periodic Hartree-Fock calculations with the full potential and minimum basis set are applied to interpretation of scanning tunneling microscope (STM) and atomic force microscope (AFM) images on 1TVTe2. Our results show that the simulated STM image shows asymmetry while the simulated AFM image shows the circular electron densities at the bright spots without asymmetry of electron density to agree with the experimental AFM image. The bright spots of both the STM and AFM images of VTe2 are associated with the surface Te atoms, while the patterns of bright spots of STM and AFM images are different.

• Bulletin of the Korean Chemical Society
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• v.28 no.1
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• pp.85-88
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• 2007

Ab initio periodic Hartree-Fock calculations with the full potential and minimum basis set are applied to interpretation of scanning tunneling microscope (STM) and atomic force microscope (AFM) images on 1TVTe2. Our results show that the simulated STM image shows asymmetry while the simulated AFM image shows the circular electron densities at the bright spots without asymmetry of electron density to agree with the experimental AFM image. The bright spots of both the STM and AFM images of VTe2 are associated with the surface Te atoms, while the patterns of bright spots of STM and AFM images are different.

• Journal of the Korean Electrochemical Society
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• v.3 no.2
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• pp.104-108
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• 2000

It is very important to know the real roughness of electrode surface in electrochemistry. But it is impossible to know absolute roughness of electrode surface for various reasons. In this work, we compared the roughnesses of polycrystalline gold electrode often used in electrochemistry calculated from the images of scanning tunneling microscopy (STM) and cyclic voltammetry with those of Au (111) and HOPG. The roughness of polycrystalline gold calculated from STM image was $1.1(\pm0.1)$, that from adsorption-desorption of oxygen was $2.4(\pm0.7)$ and that from adsorption of N-docosyl-N'-methyl viologen was $1.6(\pm0.1)$.

• Bulletin of the Korean Chemical Society
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• v.32 no.1
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• pp.281-285
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• 2011

We investigated the effects of tunneling current on scanning tunneling microscopy (STM) images of 1-octanethiol (OT) and 1-decanethiol (DT) self-assembled monolayers (SAMs). At a low tunneling current, the domain boundaries and ordered alkanethiol molecules were clearly resolved. As the tunneling current was increased at a constant bias voltage, however, the STM images showed disordered structures of the OT and DT SAMs. As the tunneling current was reduced back to low values, the ordered structures of the alkanethiol molecules reappeared. The reversibility of the process suggests that the sulfur head groups did not rearrange under any of the tunneling current conditions. On the basis of our observations, which are inconsistent with the standard model for STM imaging of molecules on metal surfaces, we consider the STM imaging mechanism in terms of a two-region tunneling junction model.

• Bulletin of the Korean Chemical Society
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• v.33 no.12
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• pp.4155-4160
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• 2012

We characterized the physisorption of p-iodo-phenyl octadecyl ether molecules (I-POE) onto superlattice regions of graphite surfaces using scanning tunneling microscopy (STM). The formation of self-organized I-POE monolayers does not affect the overall structures of moir$\acute{e}$ patterns and their modulation periods. However, the packing density of the I-POE monolayer and the orientations of lamella structures were sensitive to the underlying superlattice structure. Depending on the bias voltage, the STM images selectively showed moir$\acute{e}$ pattern, I-POE layer, or both. Reflecting the local density of states at a certain energy level, the STM images thereby revealed the relative energy level scale of the superlattice with respect to the molecular orbitals of I-POE.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.151-151
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• 2000

We have studied the atomic structure of Si(100)-c(4$\times$4) reconstruction using scanning tunneling microscopy(STM). The c(4$\times$4) reconstruction can be formed by annealing the hydrogen exposured surface at temperatures between 850 and 960 K. At this temperature ranges, adsorbed hydrogen atoms are all desorbed. Therefore, the c(4$\times$4) reconstruction is due to the Si dimers on surface. The filled and empty state images of the STM were interpreted in terms of Si dimers in c(4$\times$4) primitive cell forming the reconstruction. Based on the STM images and hydrogen adsorption experiment on c(4$\times$40 surface, we suggest that Si dimers in c(4$\times$40 unit cell are perpendicular ad-dimer to the underlying Si dimer rows.

• Journal of the Korean Chemical Society
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• v.63 no.5
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• pp.323-326
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• 2019

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.175.1-175.1
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• 2014

Despite growing interest in Ge as a possible alternative to Si, reliable data on Ge surface has been relatively scarce. Using low temperature scanning tunneling microscopy (STM), we investigate band-bending effects of localized charge traps at Ge(001) surface at 78 K. For this investigation, we prepared nearly defect-free Ge(001) surface by keeping the background pressure to < $1{\times}10^{-10}$ mbar during outgassing. Ge(001) surfaces this obtained exhibit a flat-band condition, and deposition of charge traps induce a distinct, sharp boundary between pinned and depinned surface area in the constant current mode STM images. We will show the tip-surface interaction plays an essential role in producing the boundary, and discuss about the conditions that enable the pinning effect.

• 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.