• Title/Summary/Keyword: Atomic charge distribution

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Sorption of aqueous uranium(VI) ion onto a cation-exchangeable K-birnessite colloid (양이온 교환능을 갖는 K-Birnessite 콜로이드에 의한 수용성 우라늄(VI) 이온의 흡착 연구)

  • Kang, Kwang-Cheol;Kim, Seung-Soo;Baik, Min-Hoon;Kwon, Soo-Han;Rhee, Seog-Woo
    • Analytical Science and Technology
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    • v.23 no.6
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    • pp.566-571
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    • 2010
  • This paper describes the sorption behaviors of aqueous uranium ions on the K-birnessite. K-birnessite was synthesized by adding a concentrated HCl to an aqueous solution of $KMnO_4$. Physicochemical characteristics of the K-birnessite, such as structure, specific surface area and surface charge, were investigated. K-birnessite is a layered material and the $K^+$ ions exist in the interlayer of layered K-birnessite. BET specific surface area of the K-birnessite was 38.30 m2/g. The surface charge of K-birnessite was $-1.65\;C/m^2$ at pH 5.00 and ionic strength of 0.010 M $NaClO_4$, at which the sorption experiments of uranium ions were carried out. Uranium ions were incorporated into the interlayer of the K-birnessite by cation-exchange reaction with $K^+$ ions, and the distribution coefficient is quite similar to those of common ion-exchange materials. The results might be applicable in the retardation of migration of radioactive materials from the underground disposal site of high-level radioactive waste.

Channel geometry-dependent characteristics in silicon nano-ribbon and nanowire FET for sensing applications

  • Choe, Chang-Yong;Hwang, Min-Yeong;Kim, Sang-Sik;Gu, Sang-Mo
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2009.11a
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    • pp.33-33
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    • 2009
  • Silicon nano-structures have great potential in bionic sensor applications. Atomic force microscopy (AFM) anodic oxidation have many advantages for the nanostructure fabrication, such as simple process in atmosphere at room temperature, compatibility with conventional Si process. In this work, we fabricated simple FET structures with channel width W~ 10nm (nanowire) and $1{\mu}m$ (nano-ribbon) on ~10, 20 and 100nm-thinned silicon-on-insulator (SOI) wafers in order to investigate the surface effect on the transport characteristics of nano-channel. For further quantitative analysis, we carried out the 2D numerical simulations to investigate the effect of channel surface states on the carrier distribution behavior inside the channel. The simulated 2D cross-sectional structures of fabricated devices had channel heights of H ~ 10, 20, and 100nm, widths of L ~ $1{\mu}m$ and 10nm respectively, where we simultaneously varied the channel surface charge density from $1{\times}10^{-9}$ to $1{\times}10^{-7}C/cm2$. It has been shown that the side-wall charge of nanowire channel mainly affect the I-V characteristics and this was confirmed by the 2D numerical simulations.

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Physical Properties of Mercaptopyruvic-acid Layer Formed on Gold Surfaces

  • Park, Jin-Won
    • Bulletin of the Korean Chemical Society
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    • v.32 no.8
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    • pp.2611-2616
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    • 2011
  • We studied the physical properties of the mercaptopyruvic-acid layer formed on gold surfaces, which has the interactions with the titanium dioxide surface for design of gold- titanium dioxide distribution. Surface force measurements were performed, using the atomic force microscope (AFM), between the surfaces as a function of the salt concentration and pH value. The forces were analyzed with the DLVO (Derjaguin-Landau-Verwey-Overbeek) theory, to evaluate the potential and charge density of the surfaces quantitatively for each salt concentration and each pH value. The difference in the properties reflected the effect of the isoelectric point on the surface forces. The forces were interpreted for the evaluation with the law of mass action and the ionizable groups on the surface. The salt concentration dependence of the surface properties, found from the measurement at pH 8.0, was consistent with the prediction from the law. It was found that the mercaptopyruvic-acid layer had higher values for the surface charge densities and potentials than the titanium dioxide surfaces at pH 8, which may be attributed to the ionized-functional-groups of the mercaptopyruvic-acid layer.

Effect of the fixed oxide charge on the metal-oxide-silicon-on-insulator structures (metal-oxide-silicon-on-insulator 구조에서 고정 산화막 전하가 미치는 영향)

  • Jo, Yeong-Deuk;Kim, Ji-Hong;Cho, Dae-Hyung;Moon, Byung-Moo;Koh, Jung-Hyuk;Ha, Jae-Geun;Koo, Sang-Mo
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.11a
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    • pp.83-83
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    • 2008
  • Metal-oxide-silicon-on-insulator (MOSOI) structures were fabricated to study the effect caused by reactive ion etching (RIE) and sacrificial oxidation process on silicon-on-insulator (SOI) layer. The MOSOI capacitors with an etch-damaged SOI layer were characterized by capacitance-voltage (C-V) measurements and compared to the sacrificial oxidation treated samples and the reference samples without etching treatment. The measured C-V curves were compared to the numerical results from 2-dimensional (2-D) simulations. The measurements revealed that the profile of C-V curves significantly changes depending on the SOI surface condition of the MOSOI capacitors. The shift in the measured C-V curves, due to the difference of the fixed oxide charge ($Q_f$), together with the numerical simulation analysis and atomic force microscopy (AFM) analysis, allowed extracting the fixed oxide charges ($Q_f$) in the structures as well as 2-D carrier distribution profiles.

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First Principles Study on Hydrolysis of Hazardous Chemicals PCl3 and POCl3 Catalyzed by Water Molecules (제일원리 계산을 통한 유해화학물질 PCl3와 POCl3의 물분자 촉진 수화반응 연구)

  • Jeong, Hyeon-Uk;Gang, Jun-Hui;Jeon, Ho-Je;Han, Byeong-Chan
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2017.05a
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    • pp.126-126
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    • 2017
  • Using first principles calculations we unveil fundamental mechanism of hydrolysis reactions of two hazardous chemicals $PCl_3$ and $POCl_3$ with molecular water clusters nearby. It is found that the water molecules play a key role as a catalyst significantly lowing the activation barriers by transferring its protons to the reaction intermediates. Interestingly, torsional angles of molecular complexes at transition states are identified as a vital descriptor on the reaction rate. Analysis of charge distribution over the complexes further reinforces the finding with atomic level correlation between the torsional angle and variation of the orbital hybridization state of P in the complex. Electronic charge separation (or polarization) enhances thermodynamic stability of the activated complex at transition state and reduces the activation energy through hydrogen bonding network with water molecules nearby. Calculated potential energy surfaces (PES) for the hydrolysis reactions of $PCl_3$ and $POCl_3$ depict their two contrastingly different profiles of double- and triple-deep wells, respectively. It is ascribed to the unique double-bonding O=P in the $POCl_3$. Our results on the activation free energy show well agreements with previous experimental data within $7kcalmol^{-1}$ deviation.

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Nanoprobing Charge Transport Properties of Strained and Indented Topological Insulator

  • Hwang, Jin Heui;Kwon, Sangku;Park, Joonbum;Lee, Jhinhwan;Kim, Jun Sung;Lyeo, Ho-Ki;Park, Jeong Young
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.128.1-128.1
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    • 2013
  • We investigated the correlation between electrical transport and mechanical stress in $Bi_2Te_2Se$ by using a conductive probe atomic force microscopy in an ultra-high vacuum environment. Uniform distribution of measured friction and current were observed over a single quintuple layer terrace, which is an indication of the uniform chemical composition of the surface. By measuring the charge transport of $Bi_2Te_2Se$ surface as a function of the load applied by a tip to the sample, we found that the current density varies with applied load. The variation of current density was explained in light of the combined effect of the changes in the in-plane conductance and spin-orbit coupling that were theoretically predicted. We suppose that the local density of states is modified by tip-induced strain, but topological phase still remains. We exposed a clean topological insulator surface by tip-induced indentation. The surface conductance on the indented $Bi_2Te_2Se$ surface was studied, and the role of surface oxide on the surface conductance is discussed.

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A New Approach to Surface Imaging by Nano Secondary Ion Mass Spectrometry

  • Hong, Tae-Eun;Byeon, Mi-Rang;Jang, Yu-Jin;Kim, Jong-Pil;Jeong, Ui-Deok
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.105.1-105.1
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    • 2016
  • Many of the complex materials developed today derive their unique properties from the presence of multiple phases or from local variations in elemental concentration. Simply performing analysis of the bulk materials is not sufficient to achieve a true understanding of their physical and chemical natures. Secondary ion mass spectrometer (SIMS) has met with a great deal of success in material characterization. The basis of SIMS is the use of a focused ion beam to erode sample atoms from the selected region. The atoms undergo a charge exchange with their local environment, resulting in their conversion to positive and negative secondary ions. The mass spectrometric analysis of these secondary ions is a robust method capable of identifying elemental distribution from hydrogen to uranium with detectability of the parts per million (ppm) or parts per billion (ppb) in atomic range. Nano secondary ion mass spectrometer (Nano SIMS, Cameca Nano-SIMS 50) equipped with the reactive ion such as a cesium gun and duoplasmatron gun has a spatial resolution of 50 nm which is much smaller than other SIMS. Therefore, Nano SIMS is a very valuable tool to map the spatial distribution of elements on the surface of various materials In this talk, the surface imaging applications of Nano SIMS in KBSI will be presented.

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Effect of Transition Metal Dopant on Electronic State and Chemical Bonding of MnO2 (MnO2의 전자상태 및 화학결합에 미치는 천이금속 첨가의 효과)

  • 이동윤;김봉서;송재성;김양수
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.17 no.7
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    • pp.691-696
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    • 2004
  • The electronic state and chemical bonding of $\beta$-MnO$_2$ with transition metal dopants were theoretically investigated by DV-X$_{\alpha}$ (the discrete variational X$_{\alpha}$) method, which is a sort of the first principles molecular orbital method using the Hartree-Fock-Slater approximation. The calculations were performed with a $_Mn_{14}$ MO$_{56}$ )$^{-52}$ (M = transition metals) cluster model. The electron energy level, the density of states (DOS), the overlap population, the charge density distribution, and the net charges, were calculated. The energy level diagram of MnO$_2$ shows the different band structure and electron occupancy between the up spin states and down spin states. The dopant levels decrease between the conduction band and the valence band with the increase of the atomic number of dopants. The covalency of chemical bonding was shown to increase and ionicity decreased in increasing the atomic number of dopants. Calculated results were discussed on the basis of the interaction between transition metal 3d and oxygen 2p orbital. In conclusion it is expected that when the transition metals are added to MnO$_2$ the band gap decreases and the electronic conductivity increases with the increase of the atomic number of dopants. the atomic number of dopants.

Effect of 11-Mercaptoundecylphosphoric-acid Layer Formation on Gold Surfaces Interacting with Titanium Dioxide Surfaces

  • Park, Jin-Won
    • Bulletin of the Korean Chemical Society
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    • v.31 no.10
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    • pp.2861-2866
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    • 2010
  • We studied effects of the 11-Mercaptoundecylphosphoric-acid layer formation on gold surfaces that have the interactions with the titanium dioxide surface for design of gold- titanium dioxide distribution. The atomic force microscope (AFM) was used to measure forces between the surfaces as a function of the salt concentration and pH value. The forces were analyzed with the DLVO (Derjaguin-Landau-Verwey-Overbeek) theory, to evaluate the potential and charge density of the surfaces quantitatively for each salt concentration and each pH value. The interpretation for the evaluation was performed with the law of mass action and the ionizable groups on the surface.

$3{\beta}$[L-Lysinamide-Carbamoyl] Cholesterol Cationic Lipid as a Biocompatible Vector for Efficient Gene Transfer

  • Choi, Joon-Sig;Lee, Eun-Jung;Jang, Hyung-Suk;Park, Jong-Sang
    • BMB Reports
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    • v.33 no.6
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    • pp.476-482
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    • 2000
  • In this paper, we report a new cationic lipid composed of L-lysinamide and cholesterol as a potent gene delivery vector. $3{\beta}$[L-Lysinamide-carbamoyl] cholesterol could self-assemble with plasmid DNA forming discrete lipoplexes. From atomic force microscopic images of the complexes, the size distribution was observed to range from 100 to 150 nm in diameter. The transfection efficiency of this amphiphile on different cell lines was evaluated as a micellar solution in the absence of the fusogenic helper lipid, dioleoyl phosphatidyletbanolamine (DOPE). Transfection experiments were performed as a function of charge ratio (lipid/DNA) and transfection time. Cytotoxicity and in vitro transfection efficiency of the amphiphile was demonstrated and compared with those of commercially available Lipofectin and polyethylenimine (PEI).

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