• Title/Summary/Keyword: Charge-Transfer

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The Crystal and Molecular Structure of Theophylline Hydrochloride (Theophylline 鹽酸鹽의 結晶 및 分子構造)

  • Chung Hoe Koo;Hyun So Shin;Sun Suk Oh
    • Journal of the Korean Chemical Society
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    • v.22 no.2
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    • pp.86-94
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    • 1978
  • The crystal and molecular structure of theophylline hydrochloride has been determined from X-ray data by Patterson techniques. The structure has been refined by block-diagonal least-squares and Fourier synthesis on three dimensional data. The unit cell is orthorhombic, space group $P_{na21}$, with a = 14.01, b = 11.49, c = 6.77${\AA}$, and contains four molecules. The final R value based on 743 observed reflexions is 12.2%. The intramolecular distances are similar to those in other compounds containing a purine or pyrimidine group. The molecules are nearly planar and are stacked in layers parallel to the (001)plane. The chlorine atom is coordinated to N(1) atom at a distance of 3.06${\AA}$. The structure is stabilized mainly by van der Waals interactions; however, a short N${\cdot}{\cdot}{\cdot}$Cl contact of length $3.06\AA$, which is slightly less than the expected van der Waals separation, suggest that weak charge transfer interaction may be present. The relationship between this structure and the known structures of theophylline monohydrate and caffeine monohydrate are discussed.

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Experimental Results of Ship-To-Ship Lightering Operations Applied Velocity Information GPS

  • Yoo, Yun-Ja;Pedersen, Egil;Kouguchi, Nobuyoshi;Song, Chae-Uk
    • Journal of Navigation and Port Research
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    • v.38 no.6
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    • pp.577-583
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    • 2014
  • A ship-to-ship (STS) lightering operation takes place in order to transfer cargo (e.g. crude oil or petroleum products) between an ocean-going ship and a service ship alongside it. Instrumental measurements to accurately determine the relative speeds and distances during the approach between the vessels would benefit the operational safety and efficiency. A velocity information GPS (VI-GPS) system, which uses the instantaneous velocity measures from carrier-phase Doppler measurement, has been applied in a field observation onboard a service ship (Aframax tanker) approaching a ship-to-be-lightered (VLCC) in open waters. This article proposes to apply VI-GPS as the input sensor to a guidance and decision-support system aiming to provide accurate velocity information to the officer in charge of an STS operation. A method for precise velocity measurement using VI-GPS was described and the measurement results were compared each other with the results of Voyage Data Recorder (VDR) and VI-GPS that showed the concept of a guidance and decision-support system applying VI-GPS with the field test results during STS operations. Also, it turned out that VI-GPS has sufficient accuracy to serve as an input sensor from the field test results.

Enhanced pH Response of Solution-gated Graphene FET by Using Vertically Grown ZnO Nanorods on Graphene Channel

  • Kim, B.Y;Jang, M.;Shin, K.-S.;Sohn, I.Y;Kim, S.-W.;Lee, N.-E
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.434.2-434.2
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    • 2014
  • We observe enhanced pH response of solution-gated field-effect transistors (SG-FET) having 1D-2D hybrid channel of vertical grown ZnO nanorods grown on CVD graphene (Gr). In recent years, SG-FET based on Gr has received a lot of attention for biochemical sensing applications, because Gr has outstanding properties such as high sensitivity, low detection limit, label-free electrical detection, and so on. However, low-defect CVD Gr has hardly pH responsive due to lack of hydroxyl group on Gr surface. On the other hand, ZnO, consists of stable wurtzite structure, has attracted much interest due to its unique properties and wide range of applications in optoelectronics, biosensors, medical sciences, etc. Especially, ZnO were easily grown as vertical nanorods by hydrothermal method and ZnO nanostructures have higher sensitivity to environments than planar structures due to plentiful hydroxyl group on their surface. We prepared for ZnO nanorods vertically grown on CVD Gr (ZnO nanorods/Gr hybrid channel) and to fabricate SG-FET subsequently. We have analyzed hybrid channel FETs showing transfer characteristics similar to that of pristine Gr FETs and charge neutrality point (CNP) shifts along proton concentration in solution, which can determine pH level of solution. Hybrid channel SG-FET sensors led to increase in pH sensitivity up to 500%, compared to pristine Gr SG-FET sensors. We confirmed plentiful hydroxyl groups on ZnO nanorod surface interact with protons in solution, which causes shifts of CNP. The morphology and electrical characteristics of hybrid channel SG-FET were characterized by FE-SEM and semiconductor parameter analyzer, respectively. Sensitivity and sensing mechanism of ZnO nanorods/Gr hybrid channel FET will be discussed in detail.

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Bimetallic Co/Zn-ZIF as an Efficient Photocatalyst for Degradation of Indigo Carmine

  • Nguyen, Thanh Nhan;Nguyen, Hoang Phuc;Kim, Tae-Ho;Lee, Soo Wohn
    • Korean Journal of Materials Research
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    • v.28 no.1
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    • pp.68-74
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    • 2018
  • Cobalt-incorporated zeolitic imidazolate framework ZIF-8 was synthesized by a simple one-pot synthesis method at room temperature. Powder X-ray diffraction patterns and energy dispersive X-ray spectrum confirmed the formation of the bimetallic Co/Zn-ZIF structure. UV-Vis diffuse reflectance spectra revealed that the bimetallic ZIF had a lower HOMO-LUMO gap compared with ZIF-8 due to the charge transfer process from organic ligands to cobalt centers. A hydrolytic stability test showed that Co/Zn-ZIF is very robust in aqueous solution - the most important criterion for any material to be applied in photodegradation. The photocatalytic efficiency of the synthesized samples was investigated over the Indigo Carmine (IC) dye degradation under solar simulated irradiation. Cobalt incorporated ZIF-8 exhibited high efficiency over a wide range of pH and initial concentration. The degradation followed through three distinct stages: a slow initial stage, followed by an accelerated stage and completed with a decelerated stage. Moreover, the photocatalytic performance of the synthesized samples was highly improved in alkaline environment rather than in acidic or neutral environments, which may have been because in high pH medium, the increased concentration of hydroxyl ion facilitated the formation of hydroxyl radicals, a reactive species responsible for the breaking of the Indigo Carmine structure. Thus, Co/Zn-ZIF is a promising and green material for solving the environmental pollution caused by textile industries.

Visible Light-based Photocatalytic Degradation by Transition Metal Oxide (전이 금속 산화물을 이용한 가시광선 기반 광촉매 분해)

  • Lee, Soomin;Park, Yeji;Lee, Jae Hun;Patel, Rajkumar
    • Membrane Journal
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    • v.29 no.6
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    • pp.299-307
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    • 2019
  • Photocatalysis is an environment friendly technique for degrading organic dyes in water. Tungsten oxide is becoming an active area of research in photocatalysis nanomaterials for having a smaller bandgap than the previously favored titanium dioxide. Synthesis of hierarchical structures, doping platinum (Pt), coupling with nanocomposites or other semiconductors are investigated as valid methods of improving the photocatalytic degradation efficiency. These impact the reaction by creating a redshift in the wavelength of light used, effecting charge transfer, and the formation/recombination of electron-hole pairs. Each of the methods mentioned above are investigated in terms of synthesis and photocatalytic efficiency, with the simplest being modification on the morphology of tungsten oxide, since it does not need synthesis of other materials, and the most efficient in photocatalytic degradation being complex coupling of metal oxides and carbon composites. The photocatalysis technology can be incorporated with water purification membrane by modularization process and applied to advanced water treatment system.

A study on the SEI film formation as organic solvent decomposition of lithium ion batteries and its electrochemical behavior (리튬이온전지의 유기용매분해에 따른 SEI film 형성과 전기화학적 거동에 관한 연구)

  • Kim, Min-Seong;Gu, Hal-Bon
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2001.11b
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    • pp.545-549
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    • 2001
  • We have produced electrolyte solution out of 1.15M $LiPF_6$ EC/EMC/DEC/PC(30/55/10/5 by vol%) as a reference, and at the same time, performed basic physical property test using a single solvent of 1.15M $LiPF_6$ DEC, DMC, EMC and a 2 component electrolyte solution of 1.15M $LiPF_6$ EC/DEC(1/2 by vol%) and PC/DEC(1/2 by vol%). Cyclic Voltammetry Analysis showed that, compared to existing carbonate organic solvent, the addition of DEC,DMC and EMC brought the de-decomposition peak of salt anion of $PF_6$ and the solvent at lower oxidization potential of 2.3V, 0.7V and 2.1V(vs. $Li/Li^+$). In addition, a kinetics current peak, in which intercalation of Lt is proceeded at 750mV, 450mV(vs. $Li/Li^+$), was confirmed. These findings suggest that the DEC solvent decomposition occurred at an electric potential lower than that of oxidization of existing carbonate organic solvent. Through the impedance analysis, we checked electric charge transfer resistance($R_{ct}$) according to the electric potential of $Li^+$ intercalation at 750mV(vs. $Li/Li^+$), which was the same as the resistance ($R_f$) and cyclic voltammetry of SEI film that was formed at Reference. By doing so, we found that the significant decrease of polarization resistance($R_p$) when Reference was played a part in the formation of compact SEI layer at the initial decomposition reaction.

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The electronic structure of the ion-beam-mixed Pt-Cu alloys by XPS and XANES

  • Lim, K.Y.;Lee, Y.S.;Chung, Y.D.;Lee, K.M.;Jeon, Y.;Whang, C.N.
    • Proceedings of the Korean Vacuum Society Conference
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    • 1998.02a
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    • pp.133-133
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    • 1998
  • In the thin film alloy formation of the transition metals ion-beam-mixing technique forms a metastable structure which cannot be found in the arc-melted metal alloys. Sppecifically it is well known that the studies about the electronic structure of ion-beam-mixed alloys pprovide the useful information in understanding the metastable structures in the metal alloy. We studied the electronic change in the ion-beam-mixed ppt-Ct alloys by XppS and XANES. These analysis tools pprovide us information about the charge transfer in the valence band of intermetallic bonding. The multi-layered films were depposited on the SiO2 substrate by the sequential electron beam evapporation at a ppressure of less than 5$\times$10-7 Torr. These compprise of 4 ppairs of ppt and Cu layers where thicknesses of each layer were varied in order to change the alloy compposition. Ion-beam-mixing pprocess was carried out with 80 keV Ae+ ions with a dose of $1.5\times$ 1016 Ar+/cm2 at room tempperature. The core and valence level energy shift in these system were investigated by x-ray pphotoelectron sppectroscoppy(XppS) pphotoelectrons were excited by monochromatized Al K a(1486.6 eV) The ppass energy of the hemisppherical analyzer was 23.5 eV. Core-level binding energies were calibrated with the Fermi level edge. ppt L3-edge and Cu K-edge XANES sppectra were measured with the flourescence mode detector at the 3C1 beam line of the ppLS (ppohang light source). By using the change of White line(WL) area of the each metal sites and the core level shift we can obtain the information about the electrons pparticippating in the intermetallic bonding of the ion-beam-mixed alloys.

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Size-homogeneous gold nanoparticle decorated on graphene via MeV electron beam irradiation

  • Kim, Yoo-Seok;Song, Woo-Seok;Jeon, Cheol-Ho;Kim, Sung-Hwan;Park, Chong-Yun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.487-487
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    • 2011
  • Recently graphene has emerged as a fascinating 2D system in condensed-matter physics as well as a new material for the development of nanotechnology. The unusual electronic band structure of graphene allows it to exhibit a strong ambipolar electric field effect with high mobility. These properties lead to the possibility of its application in high-performance transparent conducting films (TCFs). Compared to indium tin oxide (ITO) electrodes, which have a typical sheet resistance of ${\sim}60{\Omega}$/sq and ~85 % transmittance in the visible range (400?900 nm), the CVD-grown graphene electrodes have a higher/flatter transmittance in the visible to IR region and are more robust under bending. Nevertheless, the lowest sheet resistance of the currently available CVD graphene electrodes is higher than that of ITO. Here, we report an ingenious strategy, irradiation of MeV electron beam (e-beam) at room temperature under ambient condition, for obtaining size-homogeneous gold nanoparticle decorated on graphene. The nano-particlization promoted by MeV e-beam irradiation was investigated by transmission electron microscopy, electron energy loss spectroscopy elemental mapping, and energy dispersive X-ray spectroscopy. These results clearly revealed that gold nanoparticle with 10 ~ 15 nm in mean size were decorated along the surface of the graphene after 1.5 MeV-e-beam irradiation. A chemical transformation and charge transfer for the metal gold nanoparticle were systematically explored by X-ray photoelectron spectroscopy and Raman spectroscopy. This approach advances the numerous applications of graphene films as transparent conducting electrodes.

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Electron Trapping and Transport in Poly(tetraphenyl)silole Siloxane of Quantum Well Structure

  • Choi, Jin-Kyu;Jang, Seung-Hyun;Kim, Ki-Jeong;Sohn, Hong-Lae;Jeong, Hyun-Dam
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.158-158
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    • 2012
  • A new kind of organic-inorganic hybrid polymer, poly(tetraphenyl)silole siloxane (PSS), was invented and synthesized for realization of its unique charge trap properties. The organic portions consisting of (tetraphenyl)silole rings are responsible for electron trapping owing to their low-lying LUMO, while the Si-O-Si inorganic linkages of high HOMO-LUMO gap provide the intrachain energy barrier for controlling electron transport. Such an alternation of the organic and inorganic moieties in a polymer may give an interesting quantum well electronic structure in a molecule. The PSS thin film was fabricated by spin-coating of the PSS solution in THF organic solvent onto Si-wafer substrates and curing. The electron trapping of the PSS thin films was confirmed by the capacitance-voltage (C-V) measurements performed within the metal-insulator-semiconductor (MIS) device structure. And the quantum well electronic structure of the PSS thin film, which was thought to be the origin of the electron trapping, was investigated by a combination of theoretical and experimental methods: density functional theory (DFT) calculations in Gaussian03 package and spectroscopic techniques such as near edge X-ray absorption fine structure spectroscopy (NEXAFS) and photoemission spectroscopy (PES). The electron trapping properties of the PSS thin film of quantum well structure are closely related to intra- and inter-polymer chain electron transports. Among them, the intra-chain electron transport was theoretically studied using the Atomistix Toolkit (ATK) software based on the non-equilibrium Green's function (NEGF) method in conjunction with the DFT.

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Improved Electrical Properties of Graphene Transparent Conducting Films Via Gold Doping

  • Kim, Yoo-Seok;Song, Woo-Seok;Kim, Sung-Hwan;Jeon, Cheol-Ho;Lee, Seung-Youb;Park, Chong-Yun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.388-388
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    • 2011
  • Graphene, with its unique physical and structural properties, has recently become a proving ground for various physical phenomena, and is a promising candidate for a variety of electronic device and flexible display applications. The physical properties of graphene depend directly on the thickness. These properties lead to the possibility of its application in high-performance transparent conducting films (TCFs). Compared to indium tin oxide (ITO) electrodes, which have a typical sheet resistance of ~60 ${\Omega}/sq$ and ~85% transmittance in the visible range, the chemical vapor deposition (CVD) synthesized graphene electrodes have a higher transmittance in the visible to IR region and are more robust under bending. Nevertheless, the lowest sheet resistance of the currently available CVD graphene electrodes is higher than that of ITO. Here, we report an ingenious strategy, irradiation of MeV electron beam (e-beam) at room temperature under ambient condition,for obtaining size-homogeneous gold nanoparticle decorated on graphene. The nano-particlization promoted by MeV e-beam irradiation was investigated by transmission electron microscopy, electron energy loss spectroscopy elemental mapping, and energy dispersive X-ray spectroscopy. These results clearly revealed that gold nanoparticle with 10~15 nm in mean size were decorated along the surface of the graphene after 1.0 MeV-e-beam irradiation. The fabrication high-performance TCF with optimized doping condition showed a sheet resistance of ~150 ${\Omega}/sq$ at 94% transmittance. A chemical transformation and charge transfer for the metal gold nanoparticle were systematically explored by X-ray photoelectron spectroscopy and Raman spectroscopy. This approach advances the numerous applications of graphene films as transparent conducting electrodes.

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