• Proceedings of the Korean Vacuum Society Conference
• /
• 2014.02a
• /
• pp.415.1-415.1
• /
• 2014

Carrying out first-principles calculations, we study N-doped capped carbon nanotube (CNT) electrodes applied to DNA sequencing. While we obtain for the face-on nucleobase junction configurations a conventional conductance ordering where the largest signal results from guanine according to its high highest occupied molecular orbital (HOMO) level, we extract for the edge-on counterparts a distinct conductance ordering where the low-HOMO thymine provides the largest signal. The edge-on mode is shown to operate based on a novel molecular sensing mechanism that reflects the chemical connectivity between N-doped CNT caps that can act both as electron donors and electron acceptors and DNA functional groups that include the hyperconjugated thymine methyl group[1].

• Journal of the Korean Ceramic Society
• /
• v.54 no.5
• /
• pp.413-421
• /
• 2017

In this work, we studied a fluorite structure oxides: Yttria stabilized zirconia, (YSZ); Gd doped $CeO_2$ (GDC); erbia stabilized $Bi_2O_3$ (ESB); Zr doped erbia stabilized $Bi_2O_3$ (ZESB); Ca doped erbia stabilized $Bi_2O_3$ (CESB) in the temperature range of 250 to $600^{\circ}C$ using electrochemical impedance spectroscopy (EIS). As is well known, grain boundary blocking effect was observed in YSZ and GDC. However, there is no grain boundary effect on ESB, ZESB, and CESB. The Nyquist plots of these materials exhibit a single arc at low temperature. This means that there is no space charge effect on ${\delta}-Bi_2O_3$. In addition, impedance data were analyzed by using the brick layer model. We indirectly demonstrate that grain boundary ionic conductivity is similar to or even higher than bulk ionic conductivity on cubic bismuth oxide.

• Proceeding of EDISON Challenge
• /
• 2013.04a
• /
• pp.273-277
• /
• 2013

We apply a density functional theory (DFT) and DFT-based non-equilibrium Green's function approach to study the electronic and transport properties of graphene nanoribbons (GNRs) co-doped with boron-nitrogen, nitrogen-phosphorus and boron-phosphorus. We analyze the structures and charge transport properties of co-doped GNRs and particularly focus on the novel effects that are absent for the single N-, B-, or P-doped GNRs. It is found that co-doped GNRs tend to be doped at the edges and the electronic structures of co-doped GNRs are very sensitive to the doping sites. Also, in case of B-N and B-P co-doped GNRs, conductance dips of single-doped GNRs disappeared with the disappearance of localized states associated with doped atoms. This may lead to a possible method of band engineering of GNRs and benefit the design of graphene electronic devices.

• Proceeding of EDISON Challenge
• /
• 2016.03a
• /
• pp.373-376
• /
• 2016

Transition metal dichalcogenides (TMDs) such as $MoS_2$ is the thinnest semiconductor, exhibits promising prospects in the applications of optoelectronics, catalysis and hydrogen storage devices. Uniform and high quality $MoS_2$ is highly desirable in large area for its applications on commercial scale and fundamental research. Many experimental techniques i.e CVD have been developed to successfully synthesis $MoS_2$ on large scale, here in this work atomistic detail to understand the growth mechanism is addressed which was greatly overlooked. Here based on first principles calculation we found that polarity of seeding promter (crystal violet considerd in this work) controls the growth mechanism. It is also found that molybdenum destroys the precursor while sulfur adsorption with precursor is favorable.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2013.02a
• /
• pp.164-164
• /
• 2013

Among multicomponent nanostructures, hybrid nanocatalysts consisting of metal nanoparticle-semiconductor junctions offer an interesting platform to study the role of metal-oxide interfaces and hot electron flows in heterogeneous catalysis. In this study, we report that hot carriers generated upon photon absorption significantly impact the catalytic activity of CO oxidation. We found that Pt-CdSe-Pt nanodumbbells exhibited a higher turnover frequency by a factor of two during irradiation by light with energy higher than the bandgap of CdSe, while the turnover rate on bare Pt nanoparticles didn't depend on light irradiation. We also found that Pt nanoparticles deposited on a GaN substrate under light irradiation exhibit changes in catalytic activity of CO oxidation that depends on the type of doping of the GaN. We suppose that hot electrons are generated upon the absorption of photons by the semiconducting nanorods or substrates, whereafter the hot electrons are injected into the Pt nanoparticles, resulting in the change in catalytic activity. We discuss the possible mechanism for how hot carrier flows generated during light irradiation affect the catalytic activity of CO oxidation.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2013.02a
• /
• pp.261-261
• /
• 2013

The smart design of nanocatalysts can improve the catalytic activity of transition metals on reducible oxide supports, such as titania, via strong metal-support interactions. In this work, we investigatedtwo-dimensional Pt nanoparticle/titania catalytic systems under the CO oxidation reaction. Arc plasma deposition (APD) and metal impregnation techniques were employed to achieve Pt nanoparticle deposition on titania supports, which were prepared by multitarget sputtering and sol-gel techniques. APD Pt nanoparticles with an average size of 2.7 nm were deposited on sputtered and sol-gel-prepared titania films to assess the role of the titania support on the catalytic activity of Pt under CO oxidation. In order to study the nature of the dispersed metallic phase and its effect on the activity of the catalytic CO oxidation reaction, Pt nanoparticles were deposited in varying surface coverages on sputtered titania films using arc plasma deposition. Our results show an enhanced activity of Pt nanoparticles when the nanoparticle/titania interfaces are exposed. APD Pt shows superior catalytic activity under CO oxidation, as compared to impregnated Pt nanoparticles, due to the catalytically active nature of the mild surface oxidation and the active Pt metal, suggesting that APD can be used for large-scale synthesis of active metal nanocatalysts.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2010.08a
• /
• pp.305-305
• /
• 2010

It is known that a pulse of electrons of high kinetic energy (1-3 eV) in metals can be generated with the deposition of external energy to the surface such as in the absorption of light or in exothermic chemical processes. These energetic electrons are not in thermal equilibrium with the metal atoms and are called "hot electrons" The concept of photon energy conversion to hot electron flow was suggested by Eric McFarland and Tang who directly measured the photocurrent on gold thin film of metal-semiconductor ($TiO_2$) Schottky diodes [1]. In order to utilize this scheme, we have fabricated metal-semiconductor Schottky diodes that are made of Pt or Au as a metallic layer, Si or $TiO_2$ as a semiconducting substrate. The Pt/$TiO_2$ and Pt/Si Schottky diodes are made by PECVD (Plasma Enhanced Chemical Vapor Deposition) for $SiO_2$, magnetron sputtering process for $TiO_2$, e-beam evaporation for metallic layers. Metal shadow mask is made for device alignment in device fabrication process. We measured photocurrent on Pt/n-Si diodes under AM1.5G. The incident photon to current conversion efficiency (IPCE) at different wavelengths was measured on the diodes. We also show that the steady-state flow of hot electrons generated from photon absorption can be directly probed with $Pt/TiO_2$ Schottky diodes [2]. We will discuss possible approaches to improve the efficiency of photon energy conversion.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2012.02a
• /
• pp.245-245
• /
• 2012

Syntheses of oxide supported metal catalysts by wet-chemical routes have been well known for their use in heterogeneous catalysis. However, uniform deposition of metal nanoparticles with controlled size and shape on the support with high reproducibility is still a challenge for catalyst preparation. Among various synthesis methods, arc plasma deposition (APD) of metal nanoparticles or thin films on oxide supports has received great interest recently, due to its high reproducibility and large-scale production, and used for their application in catalysis. In this work, Au and Pt nanoparticles with size of 1-2 nm have been deposited on titania powder by APD. The size of metal nanoparticles was controlled by number of shots of metal deposition and APD conditions. These catalytic materials were characterized by x-ray diffraction (XRD), inductively coupled plasma (ICP-AES), CO-chemisorption and transmission electron microscopy (TEM). Catalytic activity of the materials was measured by CO oxidation using oxygen, as a model reaction, in a micro-flow reactor at atmospheric pressure. We found that Au/$TiO_2$ is reactive, showing 100% conversion at $110^{\circ}C$, while Pt/$TiO_2$ shows 100% conversion at $200^{\circ}C$. High activity of metal nanoparticles suggests that APD can be used for large scale synthesis of active nanocatalysts. We will discuss the effect of the structure and metal-oxide interactions of the catalysts on catalytic activity.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.08a
• /
• pp.162-162
• /
• 2011

Nanometer-sized noble metals can trap and guide sunlight for enhanced absorption of light based on surface plasmon that is beneficial for generation of hot electron flows. A pulse of high kinetic energy electrons (1-3 eV), or hot electrons, in metals can be generated after surface exposure to external energy, such as in the absorption of light or in exothermic chemical processes. These energetic electrons are not at thermal equilibrium with the metal atoms. It is highly probable that the correlation between hot electron generation and surface plasmon can offer a new guide for energy conversion systems [1-3]. We show that hot electron flow is generated on the modified gold thin film (<10 nm) of metal-semiconductor (TiO2) Schottky diodes by photon absorption, which is amplified by localized surface plasmon resonance. The short-circuit photocurrent obtained with low energy photons (lower than bandgap of TiO2, ~3.1-3.2 eV) is consistent with Fowler's law, confirming the presence of hot electron flows. The morphology of the metal thin film was modified to a connected gold island structure after heating to 120, 160, 200, and 240$^{\circ}C$. These connected island structures exhibit both a significant increase in hot electron flow and a localized surface plasmon with the peak energy at 550-570 nm, which was separately characterized with UV-Vis [4]. The result indicates a strong correlation between the hot electron flow and localized surface plasmon resonance with possible application in hot electron based solar cells and photodetectors.

• Proceedings of the Korean Vacuum Society Conference
• /
• 2011.08a
• /
• pp.353-353
• /
• 2011

Titanium dioxide is a suitable material for industrial use at present and in the future because titanium dioxide has efficient photoactivity, good stability and low cost [1]. Among the three phases (anatase, rutile, brookite) of titanium dioxide, the anatase form is particularly photocatalytically active under ultraviolet (UV) light. In fabrication of photocatalytic devices based on catalytic nanodiodes [2], it is challenging to obtain a photocatalytically active TiO2 thin film that can be prepared at low temperature (< 200$^{\circ}C$). Here, we present the synthesis of a titanium dioxide film using TiO2 nanoparticles and sol-gel methods. Titanium tetra-isopropoxide was used as the precursor and alcohol as the solvent. Titanium dioxide thin films were made using spin coating. The change of atomic structure was monitored after heating the thin film at 200$^{\circ}C$ and at 350$^{\circ}C$. The prepared samples have been characterized by X-ray diffraction (XRD), scanning electron microcopy, X-ray photoelectron spectroscopy, transmission electron microscopy, ultraviolet-visible spectroscopy (UV-vis), and ellipsometry. XRD spectra show an anatase phase at low temperature, 200$^{\circ}C$. UV-vis confirms the anatase phase band gap energy (3.2 eV) when using the photocatalyst. TEM images reveal crystallization of the titanium dioxide at 200$^{\circ}C$. We will discuss the switching behavior of the Pt /sol-gel TiO2 /Pt layers that can be a new type of resistive random-access memory.