• 제목/요약/키워드: chemical states

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Enviromental Application of Plasma Technology

  • 이원주
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.119.1-119.1
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    • 2014
  • Toxic waste disposal: Many people think that when toxic waste is dumped into the ocean or into the air, it disappears. This belief is incorrect. Rather than disappearing, it accumulates over time and slowly destroys the environment. Ultimately, it leads to the destruction of human race. Plasma is environmentally friendly: Plasma is environmentally friendly because it is created and disappears. When plasma is formed on the earth, you need certain conditions such as accelerating electrons by an electrical discharge or a particle accelerator. When this is gone, plasma completely disappears, leaving no impact on the environment. Plasmas produce radicals: Even if plasma density is low at atmospheric pressure, many radicals (excited states of molecules) are created. These radicals are chemically very aggressive. So instead of using harmful chemicals, plasma can be utilized for less of an impact on the environment. Plasma can reach very high temperatures: Plasma is also useful because when you control the density, you can easily reach high temperatures up to $5000{\sim}6000^{\circ}C$ at atmosphere pressure. Because of this heat and the chemical aggressiveness of the plasma, there are many green applications for plasma technology. Pulsed power technology: Pulsed electric field for extraction, drying and killing bacteria. Treatment of biological tissue by pulsed electric fields: Extraction of substances from cells: Sterilisation, Medical applications, Growth stimulation, Food preparation. Each application has its specialities, especially with respect to pulse shape and electric field strength.

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Study of Plasma Treatments to Increase Work Function of Multilayer Graphene Film

  • Maeng, Min-Jae;Kim, Ji-Hoon;Kwon, Dae-Gyeon;Hong, Jong-Am;Park, Yongsup
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.198.2-198.2
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    • 2014
  • We investigated change of the electronic structure, chemical states and elements ratio in graphene film by using photoelectron spectroscopy (PES). The graphene electrode has attracted considerable interest due to its possible applications in flexible organic light emitting diodes (F-OLEDs). However, to use the graphene for OLEDs, sufficient increase of work function is required, that is related with hole injection barrier. Plasma treatment is one of the most widely used method in OLEDs to increase the work function of the anode such as indium tin oxide (ITO). In this work, we used the plasma treatment, which is generated by various gas types such as O2, and Ar to increase the work function of the graphene film. From these results, we discuss the relation among the change of work function, plasma power, plasma treatment time and gas types.

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$CF_4$ 첨가에 따른 polyimide 박막의 패터닝 연구 (The Patterning of Polyimide Thin Films for the Additive $CF_4$ gas)

  • 강필승;김창일;김상기
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2001년도 추계학술대회 논문집 Vol.14 No.1
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    • pp.209-212
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    • 2001
  • Polyimide(PI) films have been considered as the interlayer dielectric materials due to low dielectric constant, low water absorption, high gap-fill and planarization capability. The PI mm Was etched with using inductively coupled plasma (ICP). The etching characteristics such as etch rate and selectivity were evaluated to gas mixing ratio. High etch rate was $8300{\AA}/min$ and vertical profile was approximately acquired $90^{\circ}$ at $CF_{4}/(CF_{4}+O_{2})$ of 0.2. The selectivies of polyimide to PR and $SiO_{2}$ were 1.2, 5.9, respectively. The etching profiles of PI films with an aluminum pattern were measured by a scanning electron microscope (SEM). The chemical states on the PI film surface were investigated by x-ray photoelectron spectroscopy (XPS). Radical densities of oxygen and fluorine in different gas mixing ratio of $O_{2}/CF_{4}$ were investigated by optical emission spectrometer (OES).

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Ab initio Study on the Complex Forming Reaction of OH and H2O in the Gas Phase

  • Park, Jong-Ho
    • Asian Journal of Atmospheric Environment
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    • 제9권2호
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    • pp.158-164
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    • 2015
  • The estimation of the concentration of hydroxyl radical (OH) in the atmosphere is essential to build atmospheric models and to understand the mechanisms of the reactions involved in OH. Although water vapor is one of the most abundant species in the troposphere, only a few studies have been performed for the reaction of OH and water vapor. Here I demonstrate an ab initio study on the complex forming reation of OH with $H_2O$ in the gas phase performed based on density functional theory to calculate the reaction rate and the energy states of the reactant and the OH-$H_2O$ complex. The structure of the complex, which belongs to the Cs point group, was optimized at global minima. The transition state was not found at the B3LYP and MP2 levels of theory. Rate constants of the forward and the reverse reactions were calculated as $1.1{\times}10^{-16}cm^3\;molecule^{-1}\;s^{-1}$ and $5.3{\times}10^9\;s^{-1}$, respectively. The extremely slow rates of complex forming reaction and the resulting hydrogen atom exchange reaction of OH and $H_2O$, which are consistent with experimentally determined values, imply a negligible possibility of a change in OH reactivity through the title reaction.

Photo-induced inter-protein interaction changes in the time domain; a blue light sensor protein PixD

  • Terazima, Masahide
    • Rapid Communication in Photoscience
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    • 제4권1호
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    • pp.1-8
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    • 2015
  • For understanding molecular mechanisms of photochemical reactions, in particular reactions of proteins with biological functions, it is important to elucidate both the initial reactions from the photoexcited states and the series of subsequent chemical reactions, e.g., conformation, intermolecular interactions (hydrogen bonding, hydrophobic interactions), and inter-protein interactions (oligomer formation, dissociation reactions). Although time-resolved detection of such dynamics is essential, these dynamics have been very difficult to track by traditional spectroscopic techniques. Here, relatively new approaches for probing the dynamics of protein photochemical reactions using time-resolved transient grating (TG) are reviewed. By using this method, a variety of spectrally silent dynamics can be detected and such data provide a valuable description about the reaction scheme. Herein, a blue light sensor protein TePixD is the exemplar. The initial photochemistry for TePixD occurs around the chromophore and is detected readily by light absorption, but subsequent reactions are spectrally silent. The TG experiments revealed conformational changes and changes in inter-protein interactions, which are essential for TePixD function. The TG experiments also showed the importance of fluctuations of the intermediates as the driving force of the reaction. This technique is complementary to optical absorption detection methods. The TG signal contains a variety of unique information, which is difficult to obtain by other methods. The advantages and methods for signal analyses are described in detail in this review.

The Dry Etching Properties of TaN Thin Film Using Inductively Coupled Plasma

  • Woo, Jong-Chang;Joo, Young-Hee;Kim, Chang-Il
    • Transactions on Electrical and Electronic Materials
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    • 제13권6호
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    • pp.287-291
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    • 2012
  • We investigated the etching characteristics of TaN thin films in an $O_2/BCl_3/Cl_2/Ar$ gas using a high density plasma (HDP) system. A maximum etch rate of the TaN thin films and the selectivity of TaN to $SiO_2$ were obtained as 172.7 nm/min and 6.27 in the $O_2/BCl_3/Cl_2/Ar$ (3:2:18:10 sccm) gas mixture, respectively. At the same time, the etch rate was measured as a function of the etching parameters, such as the RF power, DC-bias voltage, and process pressure. The chemical states on the surface of the etched TaN thin films were investigated using X-ray photoelectron spectroscopy. Auger electron spectroscopy was used for elemental analysis on the surface of the etched TaN thin films. These surface analyses confirm that the surface of the etched TaN thin film is formed with the nonvolatile by-product.

Mechanisms of Na adsorption on graphene and graphene oxide: density functional theory approach

  • Moon, Hye Sook;Lee, Ji Hye;Kwon, Soonchul;Kim, Il Tae;Lee, Seung Geol
    • Carbon letters
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    • 제16권2호
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    • pp.116-120
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    • 2015
  • We investigated the adsorption of Na on graphene and graphene oxide, which are used as anode materials in sodium ion batteries, using density functional theory. The adsorption energy for Na on graphene was -0.507 eV at the hollow sites, implying that adsorption was favorable. In the case of graphene oxide, Na atoms were separately adsorbed on the epoxide and hydroxyl functional groups. The adsorption of Na on graphene oxide-epoxide (adsorption energy of -1.024 eV) was found to be stronger than the adsorption of Na on pristine graphene. However, the adsorption of Na on graphene oxide-hydroxyl resulted in the generation of NaOH as a by-product. Using density of states (DOS) calculations, we found that the DOS of the Na-adsorbed graphene was shifted down more than that of the Na-adsorbed graphene oxide-epoxide. In addition, the intensity of the DOS around the Fermi level for the Na-adsorbed graphene was higher than that for the Na-adsorbed graphene oxide-epoxide.

Influence of Dangling Bonds on Nanotribological Properties of Alpha-beam Irradiated Graphene

  • Hwang, Jinheui;Kim, Jong Hoon;Kwon, Sangku;Hwang, C.C.;Wu, Junqiao;Park, Jeong Young
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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    • pp.265-265
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    • 2013
  • We have investigated the influences of dangling bonds generated by alpha particle irradiation on friction and adhesion properties of graphene. Single layer of graphene grown with chemical vapor deposition on copper foil was irradiated by the alpha beam with the average energy of 3.04 MeV and the irradiation dosing between $1{\times}10^{14}$ and $1{\times}10^{15}$/$cm^3$. Raman spectroscopic showed that the ${\pi}$ electron states below Fermi level arises and the $I_D$/$I_G$ increases as increasing the dosing of alpha particle irradiation. The core level X-ray photoelectron (XPS) revealed that these defects represent the creation of various carbon-related defects and dangling bond. The nanoscale tribological properties were investigated with atomic force microscopy in ultrahigh vacuum. The friction appeared to increase remarkably as increasing the amount of dosing, indicating that the dangling bonds on graphene layers enhances the energy dissipations in friction. This trend can be explained by the additional channel of energy dissipation by dangling bond or O- and H- terminated clusters created by alpha particle irradiation.

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산소환원반응 촉매용 질소 도핑된 탄소나노섬유의 제조 (Synthesis of Nitrogen-doped Carbon Nanofibers for Oxygen Reduction Reaction)

  • 안건형;이은환;안효진
    • 한국분말재료학회지
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    • 제23권6호
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    • pp.420-425
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    • 2016
  • N-doped carbon nanofibers as catalysts for oxygen-reduction reactions are synthesized using electrospinning and carbonization. Their morphologies, structures, chemical bonding states, and electrochemical performance are characterized. The optimized N-doped carbon nanofibers exhibit graphitization of carbon nanofibers and an increased nitrogen doping as well as a uniform network structure. In particular, the optimized N-doped carbon nanofibers show outstanding catalytic activity for oxygen-reduction reactions, such as a half-wave potential ($E_{1/2}$) of 0.43 V, kinetic limiting current density of $6.2mAcm^{-2}$, electron reduction pathways (n = 3.1), and excellent long-term stability after 2000 cycles, resulting in a lower $E_{1/2}$ potential degradation of 13 mV. The improvement in the electrochemical performance results from the synergistic effect of the graphitization of carbon nanofibers and the increased amount of nitrogen doping.

Using Harmonic Analysis and Optimization to Study Macromolecular Dynamics

  • Kim Moon-K.;Jang Yun-Ho;Jeong Jay-I.
    • International Journal of Control, Automation, and Systems
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    • 제4권3호
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    • pp.382-393
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    • 2006
  • Mechanical system dynamics plays an important role in the area of computational structural biology. Elastic network models (ENMs) for macromolecules (e.g., polymers, proteins, and nucleic acids such as DNA and RNA) have been developed to understand the relationship between their structure and biological function. For example. a protein, which is basically a folded polypeptide chain, can be simply modeled as a mass-spring system from the mechanical viewpoint. Since the conformational flexibility of a protein is dominantly subject to its chemical bond interactions (e.g., covalent bonds, salt bridges, and hydrogen bonds), these constraints can be modeled as linear spring connections between spatially proximal representatives in a variety of coarse-grained ENMs. Coarse-graining approaches enable one to simulate harmonic and anharmonic motions of large macromolecules in a PC, while all-atom based molecular dynamics (MD) simulation has been conventionally performed with an aid of supercomputer. A harmonic analysis of a macroscopic mechanical system, called normal mode analysis, has been adopted to analyze thermal fluctuations of a microscopic biological system around its equilibrium state. Furthermore, a structure-based system optimization, called elastic network interpolation, has been developed to predict nonlinear transition (or folding) pathways between two different functional states of a same macromolecule. The good agreement of simulation and experiment allows the employment of coarse-grained ENMs as a versatile tool for the study of macromolecular dynamics.