• Title/Summary/Keyword: Potential energy surfaces

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Electrostatic Interaction between Mercaptoundecanoic-acid Layers on Gold and ZrO2 Surfaces (금 표면 위의 메르캡토언데카노익산층 표면과 이산화지르코늄 표면 사이의 정전기적 상호작용)

  • Park, Jin-Won
    • Applied Chemistry for Engineering
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    • v.25 no.6
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    • pp.607-612
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    • 2014
  • The physical properties of mercaptoundecanoic-acid layer formed on gold surfaces, which may affect the distribution of either gold particles adsorbed to the zirconium dioxide surface or vice versa, were investigated. To conduct this investigation, the surface forces were measured between the surfaces with respect to the salt concentration and pH value using atomic force microscope (AFM). The forces were quantitatively converted by the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory to the surface potential and charge density of surfaces. The converted-value dependence on the salt concentration and pH was described with the law of mass action, and the dependence was consistent with the theoretical prediction. It was found that the mercaptoundecanoic-acid layer had higher values for the surface charge densities and potentials than the $ZrO_2$ surfaces, which may be attributed to the ionized-functional-groups of the mercaptoundecanoic-acid layer.

Surface Properties of Mercaptopyruvic-acid Layer Formed on Gold Surfaces Interacting with ZrO2 (지르코니아와 상호작용하는 금 표면 위의 메르캡토파이러빅산층 표면 물성)

  • Park, Jin-Won
    • Clean Technology
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    • v.20 no.2
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    • pp.130-135
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    • 2014
  • It is investigated that the surface properties of mercaptopyruvic-acid layer formed on gold surfaces may make an effect on the distribution of either gold particle adsorbed to the zirconia surface or vice versa. For the investigation, the atomic force microscope was used to measure the surface forces between the surfaces as a function of the salt concentration and pH value. The forces were quantitatively analyzed with the derjaguin-landau-verwey-overbeek (DLVO) theory to estimate the electrostatic properties, potential and charge density, of the surfaces for each condition of salt concentration and pH value. The estimatedvalue dependence on the salt concentration was explained with the law of mass action, and the pH dependence was interpreted with the ionizable groups on the surface. The salt concentration dependence of the surface properties, found from the measurement at pH 4 and 8, was predictable from the law. It was found that the mercaptopyruvic-acid layer had higher values for the surface charge densities and potentials than the zirconia surfaces at pH 4 and 8, which may be attributed to the ionizedfunctional-groups of the mercaptopyruvic-acid layer.

Simulation of Energy Resolution of Time of Flight System for Measuring Positron-annihilation induced Auger Electrons (양전자 소멸 Auger 전자 에너지 측정을 위한 Time of Flight의 분해도 향상에 관한 이론적 연구)

  • Kim, J.H.;Yang, T.K.;Lee, C.Y.;Lee, B.C.
    • Journal of the Korean Vacuum Society
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    • v.17 no.4
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    • pp.311-316
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    • 2008
  • Since the presence of the chemical impurities and defect at surfaces and interfaces greatly influence the properties of various semiconductor devices, an unambiguous chemical characterization of the metal and semiconductor surfaces become more important in the view of the miniaturization of the devices toward nano scale. Among the various conventional surface characterization tools, Electron-induced Auger Electron Spectroscopy (EAES), X-ray Photoelectron Spectroscopy (XPS) and Secondary Electron Ion Mass Spectroscopy (SIMS) are being used for the identification of the surface chemical impurities. Recently, a novel surface characterizaion technique, Positron-annihilation induced Auger Electron Spectroscopy (PAES) is introduced to provide a unique method for the analysis of the elemental composition of the top-most atomic layer. In PAES, monoenergetic positron of a few eV are implanted to the surface under study and these positrons become thermalized near the surface. A fraction of the thermalized positron trapped at the surface state annihilate with the neighboring core-level electrons, creating core-hole excitations, which initiate the Auger process with the emission of Auger electrons almost simultaneously with the emission of annihilating gamma-rays. The energy of electrons is generally determined by employing ExB energy selector, which shows a poor resolution of $6{\sim}10eV$. In this paper, time-of-flight system is employed to measure the electrons energy with an enhanced energy resolution. The experimental result is compared with simulation results in the case of both linear (with retarding tube) and reflected TOF systems.

Dissociation of the Phenylarsane Molecular Ion: A Theoretical Study

  • Kim, Sun-Young;Choe, Joong-Chul
    • Bulletin of the Korean Chemical Society
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    • v.31 no.9
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    • pp.2588-2592
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    • 2010
  • The potential energy surfaces (PESs) for the primary and secondary dissociations of the phenylarsane molecular ion (1a) were determined from the quantum chemical calculations using the G3(MP2)//B3LYP method. Several pathways for the loss of $H{\cdot}$ were determined and occurred though rearrangements as well as through direct bond cleavages. The kinetic analysis based on the PES for the primary dissociation showed that the loss of $H_2$ was more favored than the loss of $H{\cdot}$, but the $H{\cdot}$. loss competed with the $H_2$ loss at high energies. The bicyclic isomer, 7-arsa-norcaradiene radical cation, was formed through the 1,2 shift of an $\alpha$-H of 1a and played an important role as an intermediate for the further rearrangements in the loss of $H{\cdot}$ and the losses of $As{\cdot}$ and AsH. The reaction pathways for the formation of the major products in the secondary dissociations of $[M-H]^+$ and $[M-H_2]^{+\cdot}$. were examined. The theoretical prediction explained the previous experimental results for the dissociation at high energies but not the dissociation at low energies.

Expanding Thermal Plasma CVD of Silicon Thin Films and Nano-Crystals: Fundamental Studies and Applications

  • Sanden, Richard Van De
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.78-78
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    • 2012
  • In this presentation I will review the expanding thermal plasma chemical vapour deposition (ETP-CVD) technology, a deposition technology capable of reaching ultrahigh deposition rates. High rate deposition of a-Si:H, ${\mu}c$-Si:H, a-SiNx:H and silicon nanocrystals will be discussed and their various applications, mainly for photovoltaic applications demonstrated. An important aspect over the years has been the fundamental investigation of the growth mechanism of these films. The various in situ (plasma) and thin film diagnostics, such as Langmuir probes, retarding field analyzer, (appearance potential) mass spectrometry and cavity ring absorption spectroscopy, spectroscopic ellipsometry to name a few, which were successfully applied to measure radical and ion density, their temperature and kinetic energy and their reactivity with the growth surface. The insights gained in the growth mechanism provided routes to novel applications of the ETP-CVD technology, such as the ultrahigh high growth rate of silicon nanorystals and surface passivation of c-Si surfaces.

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Tissue and Immune Responses on Implanted Nanostructured Biomaterials

  • Khang, Dong-Woo;Kang, Sang-Soo;Nam, Tae-Hyun
    • Proceedings of the Materials Research Society of Korea Conference
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    • 2009.05a
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    • pp.47.1-47.1
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    • 2009
  • Nanostructured biomaterials have increased those potential for utilizing in many medical applications. In this study, benefit of nanotechnology for the response with biological targets will be described in terms of size, effective surface area and surface energy (physical aspect). Also, correlations between physical and biological interactions (greater protein adsorption on nano surface roughness) will be discussed for understanding biocompatibility of nanostructured biomaterials including carbon nanotube composites and nanostructured titanium surfaces. In the application parts, various major tissue cells, such as bone, cartilage, vascular and bladder cell responses will be discussed with suggested nanomaterials. Lastly, immune responses with macrophage (adhesion and several major cytokines) on nanostructured biomaterials will be described for evasive immune response.

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Photooxidation of Poly(vinyl butyral) Films by UV/Ozone Irradiation (자외선/오존 조사에 의한 Poly(vinyl butyral)의 광산화)

  • Joo, Jin-Woo;Jang, Jinho
    • Textile Coloration and Finishing
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    • v.27 no.2
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    • pp.113-118
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    • 2015
  • Poly(vinyl butyral), PVB was photooxidized by UV/ozone irradiation and the effect of UV energy on the surface properties of the UV-irradiated PVB film were investigated by the measurement of reflectance, surface roughness, contact angles, elemental composition, and zeta potential. With increasing UV energy, reflectance decreased in the visible and ultraviolet regions particularly at the wavelength of 400nm. The irradiation produced nano-scale surface roughness including the maximum peak-to-valley roughness increased from 274nm for the unirradiated PVB to 370nm at the UV energy of $5.3J/cm^2$. The improved hydrophilicity was due to the higher $O_{1s}/C_{1s}$ resulting from the introduction of polar groups such as C=O bonds. The surface energy of the PVB film increased from $35.3mJ/m^2$ to $39.3mJ/m^2$ at the irradiation of $15.9J/cm^2$. While the zeta potentials decreased proportionally with increasing UV energy, the cationic dyeability of the PVB increased accordingly resulting from the improved affinity of the irradiated PVB surfaces containing the photochemically introduced anionic and dipolar dyeing sites.

Photooxidation of Poly(butylene succinate) Films by UV/Ozone Irradiation (자외선/오존 조사에 의한 Poly(butylene succinate) 필름의 광산화)

  • Joo, Jin-Woo;Jang, Jinho
    • Textile Coloration and Finishing
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    • v.26 no.3
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    • pp.159-164
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    • 2014
  • Biodegradable Poly(butylene succinate), PBS, was photooxidized by UV/ozone irradiation and the effect of UV energy on the surface properties of the UV-irradiated PBS film were investigated by the measurement of reflectance, surface roughness, contact angles, chemical composition, and zeta potential. With increasing UV energy, reflectance decreased in the visible and ultraviolet regions particularly at the wavelength of 380nm. The irradiation produced nano-scale surface roughness including the maximum peak-to-valley roughness increased from 106nm for the unirradiated sample to 221nm at the UV energy of $10.6J/cm^2$. The improved hydrophilicity was due to the higher $O_{1s}/C_{1s}$ resulting from the introduction of polar groups such as C-O and C=O bonds. The surface energy of the PBS increased from $42.1mJ/m^2$ for the unirradiated PBS to $56.8mJ/m^2$ at the irradiation of $21.2J/cm^2$. The zeta potentials of the UV-irradiated PBS also decreased proportionally with increasing UV energy. The cationic dyeability of the PBS increased accordingly resulting from the improved affinity of the irradiated PBS surfaces containing photochemically introduced anionic and dipolar dyeing sites.

Size-dependent analysis of functionally graded ultra-thin films

  • Shaat, M.;Mahmoud, F.F.;Alshorbagy, A.E.;Alieldin, S.S.;Meletis, E.I.
    • Structural Engineering and Mechanics
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    • v.44 no.4
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    • pp.431-448
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    • 2012
  • In this paper, the first-order shear deformation theory (FSDT) (Mindlin) for continuum incorporating surface energy is exploited to study the static behavior of ultra-thin functionally graded (FG) plates. The size-dependent mechanical response is very important while the plate thickness reduces to micro/nano scales. Bulk stresses on the surfaces are required to satisfy the surface balance conditions involving surface stresses. Unlike the classical continuum plate models, the bulk transverse normal stress is preserved here. By incorporating the surface energies into the principle of minimum potential energy, a series of continuum governing differential equations which include intrinsic length scales are derived. The modifications over the classical continuum stiffness are also obtained. To illustrate the application of the theory, simply supported micro/nano scaled rectangular films subjected to a transverse mechanical load are investigated. Numerical examples are presented to present the effects of surface energies on the behavior of functionally graded (FG) film, whose effective elastic moduli of its bulk material are represented by the simple power law. The proposed model is then used for a comparison between the continuum analysis of FG ultra-thin plates with and without incorporating surface effects. Also, the transverse shear strain effect is studied by a comparison between the FG plate behavior based on Kirchhoff and Mindlin assumptions. In our analysis the residual surface tension under unstrained conditions and the surface Lame constants are expected to be the same for the upper and lower surfaces of the FG plate. The proposed model is verified by previous work.

Filler-Elastomer Interactions. 6. Influence of Oxygen Plasma Treatment on Surface Properties of Carbon Blacks (충전재-탄성체 상호작용. 6. 산소 플라즈마 처리가 카본블랙표면특성 미치는 영향)

  • Cho, Ki-Sook;Zoborski, M.;Slusarski, L.;Park, Soo-Jin
    • Elastomers and Composites
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    • v.37 no.2
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    • pp.99-106
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    • 2002
  • In this work, the surface properties and mechanical interfacial properties of the carbon blacks treated by oxygen plasma were investigated. The surface properties of carbon black by oxidation process of oxygen plasma were studied in acid-base surface value, zeta potential, and X-ray photoelectron spectroscopy (XPS). And their mechanical interfacial properties of the carbon black/rubber composites were evaluated by the composite tearing energy ($G_{III}c$). As a result, it was found that the introduction rate of oxygen-containing polar functional groups, such as carboxyl, hydroxyl, lactone, and carbonyl groups, onto the carbon black surfaces was increased by increasing the plasma treatment time. It revealed that the polar rubber, such as acrylonitrile butadiene rubber (NBR), showed relatively a high degree of interaction with oxygen-containing functional groups of the carbon black surfaces, resulting in improving the tearing energy ($G_{III}c$) of the carbon black/acrlyonitrile butadiene rubber composites.