• Title/Summary/Keyword: Transport properties

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Charge Transport Properties of Boron/Nitrogen Binary Doped Graphene Nanoribbons: An ab Initio Study

  • Kim, Seong Sik;Kim, Han Seul;Kim, Hyo Seok;Kim, Yong Hoon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.180.2-180.2
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    • 2014
  • Opening a bandgap by forming graphene nanoribbons (GNRs) and tailoring their properties via doping is a promising direction to achieve graphene-based advanced electronic devices. Applying a first-principles computational approach combining density functional theory (DFT) and DFT-based non-equilibrium Green's function (NEGF) calculation, we herein study the structural, electronic, and charge transport properties of boron-nitrogen binary edge doped GNRs and show that it can achieve novel doping effects that are absent for the single B or N doping. For the armchair GNRs, we find that the B-N edge co-doping almost perfectly recovers the conductance of pristine GNRs. For the zigzag GNRs, it is found to support spatially and energetically spin-polarized currents in the absence of magnetic electrodes or external gate fields: The spin-up (spin-down) currents along the B-N undoped edge and in the valence (conduction) band edge region. This may lead to a novel scheme of graphene band engineering and benefit the design of graphene-based spintronic devices.

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Strong Correlation Effect by the Rare Earth Substitution on Thermoelectric Material Bi2Te3 ; in GGA+U Approach

  • Quang, Tran Van;Kim, Miyoung
    • Proceedings of the Korean Magnestics Society Conference
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    • 2013.05a
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    • pp.19-20
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    • 2013
  • Thermoelectic properties of the typical thermoelectric host materials, the tellurides and selenides, are known to be noticeably changed by their volume change due to the strain [1]. In the bismuth telluride ($Bi_2Te_3$) crystal, a substitution of rare-earth element by replacing one of the Bi atoms may cause the change of the lattice parameters while remaining the rhombohedral structure of the host material. Using the first-principles approach by the precise full potential linearized augmented plane wave (FLAPW) method [2], we investigated the Ce substitution effect on the thermoelectric transport coefficients for the bismuth telluride, employing Boltzmann's equation in a constant relaxation-time approach fed with the FLAPW wave-functions within the rigid band approximation. Depending on the real process of re-arrangement of atoms in the cell to reach the equilibrium state, $CeBiTe_3$ was found to manifest a metal or a narrow bandgap semiconductor. This feature along with the strong correlation effect originated by the 4f states of Ce affect significantly on the thermoelectric properties. We showed that the position of the strongly localized f-states in energy scale (Fig. 1, f-states are shaded) was found to alter critically the transport properties in this material suggesting an opportunity to improve the thermoelectric efficiency by tuning the external strain which may changing the location of the f-sates.

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Comparative analysis of the magnetic and the transport properties of electron- and hole-doped manganite films

  • Kim, K.W.;Prokhorov, V.G.;Flis, V.S.;Park, J.S.;Eom, T.W.;Lee, Y.P.;Svetchnikov, V.L.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.226-226
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    • 2010
  • Microstructure, magnetic and transport properties of as-deposited electron-doped $La_{1-x}Ce_xMnO_3$ and hole-doped $La_{1-x}Ce_xMnO_3$ films prepared by pulse laser deposition, with x = 0.1 and 0.3, have been investigated. The microstructural analysis reveals that the $La_{1-x}Ce_xMnO_3$ films have a column-like microstructure and a strip-domain phase with a periodic spacing of about 3c, which were not found for the $La_{1-x}Ce_xMnO_3$ ones. At the same time, the experimental results manifest that there is no fundamental difference in the magnetic and the transport properties between electron- and hole-doped manganite films, except the appearance of ferromagnetic response in the low-doped $La_{0.9}Ce_{0.1}MnO_3$ film at temperatures above the Curie point. The observed magnetic behavior, typical for the Griffiths-like phase, for this film is explained by the percolation mechanism of the ferromagnetic transition and by the presence of strip-domain phase which stimulates the magnetic phase separation.

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Competitive Spectrophotometry for Microbial Dipeptide Transport Systems

  • Hwang, Se-Young;Ki, Mi-Ran;Cho, Suk-Young;Lim, Wang-Jin;Yoo, Ick-Dong
    • Journal of Microbiology and Biotechnology
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    • v.6 no.2
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    • pp.92-97
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    • 1996
  • Portage kinetic constants of peptide transport can be measured by competitive spectrophotometry. The kinetic constants of L-Glu-L-Glu transport in Escherichia coli were ascertained using L-Phe-L-3-thia-Phe (PSP) as a detector. Since the production of thiophenol upon intracellular hydrolysis of PSP was competitively inhibited by L-Glu-L-Glu, it was able to compute the kinetic constants of L-Glu-L-Glu using this method. The resulted data were in agreement with the values obtained by the method of Michaelis-Menten kinetics. The potential of this method was examined against dipeptide transport systems in various microorganisms. These results strongly suggest that the overall properties of individual systems for dipeptide transports can be easily characterized by competitive spectrophotometry.

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Coupled Analysis of Hydrogen Transport Within ABAQUS (ABAQUS 를 이용한 수소확산 해석)

  • Oh, Chang-Sik;Kim, Yun-Jae
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.33 no.6
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    • pp.600-606
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    • 2009
  • In this paper, the coupled model with hydrogen transport and elasto-plasticity behavior is introduced. This model is implemented to the general-purpose FE code, ABAQUS, via the user-defined subroutine UMAT and UMATHT. In UMAT, the spatial gradients of hydrostatic stress and hydrogen induced deformation are calculated, and then are passed into UMATHT. Heat transfer equation within UMATHT is substituted by hydrogen transport equation including the effects of stress states and strain hardening. To validate this model, the finite element analyses coupled with hydrogen transport and mechanical loading are performed for the boundary layer specimens with low and high strength steel properties. The FE results are compared with the previous studies by Taha and Sofronis (2001).

Printability of an Aqueous Gravure Ink for Polyolefin (Polyolefin용 수성 Gravure Ink의 인쇄작성)

  • 김종원
    • Journal of the Korean Graphic Arts Communication Society
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    • v.12 no.1
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    • pp.1.1-11
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    • 1994
  • The photosensitive properties and carrier transport in the organic photoconductor with the carrier transport layers(CTL) of polymer matrix doped with two carrier transport materials above carrier generation layer(CGL) containing oxotitanium phthalocyanine (TiOPc) were investigated. The CGL of TiOPc dispersed in poly(vinylbutyral) was formed as thickness of 0.1${\mu}{\textrm}{m}$and the carrier transport layer was prepared by coating polycarbonate and polyester doped with oxadiazoly(OXD), polyvinylcarbazole (PVK), trinitro fluorenone(TNF) as thickness of 10~15${\mu}{\textrm}{m}$, respectively. We have measured half decay exposure,sensitivity and xerographic gain from the photo-induced discharge curve(PIDC). In this work, it was found that the characteristics of carrier transport were mainly caused by the ionization potential difference of constitutive materials in molecularly doped polymer.

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Electron Transport Mechanisms in Ag Schottky Contacts Fabricated on O-polar and Nonpolar m-plane Bulk ZnO

  • Kim, Hogyoung
    • Transactions on Electrical and Electronic Materials
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    • v.16 no.5
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    • pp.285-289
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    • 2015
  • We prepared silver Schottky contacts to O-polar and nonpolar m-plane bulk ZnO wafers. Then, by considering various transport models, we performed a comparative analysis of the current transport properties of Ag/bulk ZnO Schottky diodes, which were measured at 300, 200, and 100 K. The fitting of the forward bias current-voltage (I-V) characteristics revealed that the tunneling current is dominant as the transport component in both the samples. Compared to thermionic emission (TE), a stronger contribution of tunneling current was observed at low temperature. The reverse bias I-V characteristics were well fitted with the thermionic field emission (TFE) in both the samples. The presence of acceptor-like adsorbates, such as O2 and H2O, modulated the surface conductive state of ZnO, thereby affecting the tunneling effect. The degree of activation/passivation of acceptor-like adsorbates might be different in both the samples owing to their different surface morphologies and surface defects (e.g., oxygen vacancies).

A Study on the rail-transport operation control for railway embankment under rainfall (강우시 철도성토사면의 열차운전규제기준에 관한 연구)

  • 김현기;박영곤;신민호;김수삼
    • Proceedings of the KSR Conference
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    • 2001.10a
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    • pp.514-519
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    • 2001
  • There are a close relationship between natural disasters and train safety. So it is very important to guaranty train safety using reasonable rail-transport operation control against disasters. Therefore, based on the past record of rainfall at failure, rail-transport operation control for railway embankment under rainfall was set up. After slope check list at home and abroad had been analyzed, new slope check list was suggested and site investigations were carried out using this check list. In order to evaluate the stability of railway slopes under rainfall, explanatory variables and subordinate variables were selected for multi-variate analysis and critical rainfall was defined by statistical process. Rail-transport operation control including regional and geological properties was suggested by analyzing the critical rainfall and rail-transport operation control in other country, and this will be a good tool to control train speed under rainfall and to secure train safety.

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Fully Solution-Processed Green Organic Light-Emitting Diodes Using the Optimized Electron Transport Layers (최적화된 전자 수송층을 활용한 완전한 용액공정 기반 녹색 유기발광다이오드)

  • Han, Joo Won;Kim, Yong Hyun
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.31 no.7
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    • pp.486-489
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    • 2018
  • Solution-processed organic light-emitting diodes (OLEDs) have the advantages of low cost, fast fabrication, and large-area devices. However, most studies on solution-processed OLEDs have mainly focused on solution-processable hole transporting materials or emissive materials. Here, we report fully solution-processed green OLEDs including hole/electron transport layers and emissive layers. The electrical and optical properties of OLEDs based on solution-processed TPBi (2,2',2"-(1,3,5-Benzinetriyl)-tris(1-phenyl-1-H-benzimidazole)) as the electron transport layer were investigated with respect to the spin speed and the number of layers. The performance of OLEDs with solution-processed TPBi exhibits a power efficiency of 9.4 lm/W. We believe that the solution-processed electron transport layers can contribute to the development of efficient fully solution-processed multilayered OLEDs.

Dielectric and Transport Properties of Acetonitrile at Varying Temperatures: a Molecular Dynamics Study

  • Orhan, Mehmet
    • Bulletin of the Korean Chemical Society
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    • v.35 no.5
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    • pp.1469-1478
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    • 2014
  • Use of acetonitrile in electrolytes promotes better operation of supercapacitors. Recent efforts show that electrolytes containing acetonitrile can also function in a wide range of operating temperatures. Therefore, this paper addresses the dielectric relaxation processes, structure and dynamic properties of the bulk acetonitrile at various temperatures. Systems of acetonitrile were modeled using canonical ensemble and simulated by employing Molecular Dynamics method. Results show that interactions among the molecules were correlated within a cut-off radius while parallel and anti-parallel arrangements are observed beyond this radius at relatively high and low temperatures respectively. Furthermore, effects of C-C-N and C-H bending modes were greatly appreciated on the power spectral density of time rate change of dipole-dipole correlations whereas frequency shifts were observed on all modes at the lowest temperature under consideration. Linear variations with temperature were depicted for reorientation times and self-diffusion coefficients. Shear viscosity was also computed with a good accuracy within a certain range of the temperature as well.