• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.654-654
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• 2013

One of the most important yet unresolved problems in molecular electronics is the controversy over the number and nature of multiple conductance peaks in single-molecule junctions. Currently, there are three competing explanations of this observation: (1) manifestation of different molecule-electrode contact geometries, (2) formation of gauche defects within the molecular core, (3) involvement of different electrode surface orientations [1]. However, the exact origin of multiple conductance peaks is not yet fully understood, which indicates our incomplete understanding of the scientifically as well as techno-logically important organic-metal contacts. To theoretically resolve this problem, we previously applied a multiscale computational approach that combines force fields molecular dynamics (FF MD), density functional theory (DFT), and matrix Green's function (MGF) calculations [2] to a thermally fluctuating haxanedithiol (C6DT) molecule stretched between flat Au(111) electrodes, but could observe only a single conductance peak [3]. In this presentation, using DFT geometry optimizations and MGF calculations, we consider molecular junctions with more realistic molecule-metal contact conformations and Au(111) electrode surface directions. We also conduct DFT-based molecular dynamics for the highly stretched junction models to confirm our conclusion. We conclude that the S-Au coordination number should be the more dominant factor than the electrode surface orientation.

• Journal of the Korean Chemical Society
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• v.59 no.1
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• pp.18-21
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• 2015

We use a scanning tunneling microscope based break-junction technique to measure the conductance of a 4,4'-dimethoxybiphenyl molecular junction formed with Ag and Au electrodes. We observe the formation of a clear molecular junction with Ag electrodes that result from stable Ag-oxygen bonding structures. However we have no molecular bonding formation when using Au electrodes, resulting in a tunneling current between the top and bottom metal electrodes. We also see a clear peak in the conductance histogram of the Ag-oxygen molecular junctions, but no significant molecular features are seen with Au electrodes. Our work should open a new path to the conductance measurements of single-molecule junctions with oxygen linkers.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.16-17
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• 2010

Molecular spintronics has attracted attentions, which combines molecular electronics with the spin degree of freedom in electron transport. Among various molecules as candidates of the molecular spintronics, single molecule magnet (SMM) is one of the most promising material. SMM molecules show a ferromagnetic behavior even as a single molecule and hold the spin information even after the magnetic field is turned off. Here in this report, we show the spin behavior of SMM molecules adsorbed on the Au surface by combining the observation of Kondo peak in the STS and ESR-STM measurement. Kondo resonance state is formed near the Fermi level when degenerated spin state interacts with conduction electrons. ESR-STM detects the Larmor frequency of the spin in the presence of a magnet field. The sample include $MPc_2$ and $M_2Pc_3$ molecules ($M\;=\;Tb^{3+}$, $Dy^{3+}$, and $Y^{3+}$ Pc=phthalocyanine) whose critical temperature as a ferromagnet reaches 40 K. A clear Kondo peak was observed which is originated from an unpaired electron in the ligand of the molecule, which is the first demonstration of the Kondo peak originated from electron observed in the STS measurement. We also observed corresponding peaks in ESR-STM spectra. [1] In addition we found that the Kondo peak intensity shows a clear variation with the conformational change of the molecule; namely the azimuthal rotational angle of the Pc planes. This indicates that the Kondo resonance is correlated with the molecule electronic state. We examined this phenomena by using STM manipulation technique, where pulse bias application can rotate the relative azimuthal angle of the Pc planes. The result indicates that an application of ~1V pulse to the bias voltage can rotate the Pc plane and the Kondo peaks shows a clear variation in intensity by the molecule's conformational change.

• Journal of the Korean Chemical Society
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• v.58 no.6
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• pp.513-516
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• 2014

We measure the conductance of a 4,4'-diaminobiphenyl formed with Ni electrodes using a scanning tunneling microscope-based break-junction technique. For comparison, we use Au or Ag electrodes to form a metal-molecular junction. For molecules that conduct through the highest occupied molecular orbital, junctions formed with Ni show similar conductance as Au and are more conductive than those formed with Ag, consistent with the higher work function for Ni or Au. Furthermore, we observe that the measured molecular junction length that is formed with the Ni or Au electrodes was shorter than that formed with the Ag electrodes. These observations are attributed to a larger gap distance of the Ni or Au electrodes compared to that of the Ag electrodes after the metal contact ruptures. Since our work allows us to measure the conductance of a molecule formed with various electrodes, it should be relevant to molecular electronics with versatile materials.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.184.2-184.2
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• 2014

Recent advances in the synthesis and characterization of nanoscale objects provided us with the atomistic understanding of charge transport through single molecular junctions. The representative examples are the mechanically controlled break junction technique and STM or conducting AFM junction techniques. Theoretical studies have been reported on the dependence of electronic charge transport on the geometry of molecule-electrode contacts, the critical element toward the realization of molecular electronics. In this report, we will clarify the puzzling discrepancies between theoretical predictions and experiments.

• JSTS:Journal of Semiconductor Technology and Science
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• v.7 no.4
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• pp.254-259
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• 2007

In this report, several fabrication techniques for the formation of various nanochannels (with $SiO_2$, Si, or Quartz) are introduced. Moreover, simple fabrication technique for generating $SiO_2$ nanochannels without nanolithography is presented. By using different nanochannels, the degree of stretching DNA molecule will be evaluated. Finally, we introduce a nanometer scale fluidic channel with electrodes on the sidewall of it, to detect and analyze single DNA molecule. The cross sectional shape of the nanotrench is V-groove, which was implemented by thermal oxidation. Electrodes were deposited through both sidewalls of nanotrench and the sealing of channel was done by covering thin poly-dimethiysiloxane (PDMS) polymer sheet.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.16 no.8
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• pp.5586-5590
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• 2015

In this paper, the directed alignment methode of the DNA molecule between the Au electrodes was suggested for the application of nano devices. To fabricate the nano device coated DNA, 2-Aminoethanthiol(AET) was coated on Au electrodes which was formed using photo-lithography process on $SiO_2/Si$ substrates. In general, the AET that was a positive charge with $NH^{3+}$ was strongly combined under the electrostatic interaction with DNA molecule which had to be a negative charge. The DNA molecules could be easily aligned between Au electrodes coated with AET. The structures of the DNA molecules were investigated using AFM(Atomic force microscope), they were changed from single types to bundle according to the AET concentrations.

• Journal of Sensor Science and Technology
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• v.19 no.6
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• pp.428-434
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• 2010

In this study, a novel gas sensor based on evanescent field coupling between single mode side polished fiber and solvatochromic dye dispersed polymer waveguide was demonstrated. We fabricated a side polished optical fiber device as a volatile organic compounds gas detector. Solvatochromic dye was coated on the top of the side polished optical fiber to take advantage of evanescent field coupling. The solvatochromism can be defined as the phenomenon whereby a compound changes color, either by a change in the absorption or emission spectra of molecule, when reacted in different VOCs. The device reacted to polarity gases like a hexane, butane, xylene etc. The resonance wavelength was shifted by the xylene concentration which range was 0.1 ppm ~ 100 ppm. Also, the response with the concentration was lineer and the detection limit was 0.1 ppb.

• Bulletin of the Korean Chemical Society
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• v.28 no.4
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• pp.567-573
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• 2007

The crystal structure of ZnI2 molecule synthesized in zeolite A (LTA) has been studied by single-crystal X-ray diffraction techniques. A single crystal of |Zn6|[Si12Al12O48]-LTA, synthesized by the dynamic ion-exchange of |Na12|[Si12Al12O48]-LTA with aqueous 0.05 M Zn(NO3)2 and washed with deionized water, was placed in a stream of flowing 0.05 M KI in CH3OH at 294 K for four days. The resulting crystal structure of the product (|K6Zn3(KI)3(ZnI2)0.5|[Si12Al12O48]-LTA, a = 12.1690(10) A) was determined at 294 K by single-crystal X-ray diffraction in the space group Pm3m. It was refined with all measured reflections to the final error index R1 = 0.078 for 431 reflections which Fo > 4σ (Fo). At four crystallographically distinct positions, 3.5 Zn2+ and nine K+ ions per unit cell are found: three Zn2+ and five K+ ions lie on the 3-fold axes opposite 6-rings in the large cavity, two K+ ions are off the plane of the 8-rings, two K+ ions are recessed deeply off the plane of the 8-rings, and the remaining a half Zn2+ ion lie on the 3-fold axes opposite 6-rings in the sodalite cavity. A half Zn2+ ion and an I- ion per unit cell are found in the sodalite units, indicating the formation of a ZnI2 molecule in 50% of the sodalite cavities. Each ZnI2 (Zn-I = 3.35(5) A) is held in place by the coordination of its one Zn2+ ion to the zeolite framework oxygens and by the coordination of its two I- ions to K+ ions through 6-rings (I-K = 3.33(8) A). Three additional I- ions per unit cell are found opposite a 4-ring in the large cavity and form a K3I2+ and two K2ZnI3+ ionic clusters, respectively.