• 제목/요약/키워드: Density of states

검색결과 553건 처리시간 0.028초

Nanostructured Ni-Mn double hydroxide for high capacitance supercapacitor application

  • Pujari, Rahul B.;Lee, Dong-Weon
    • 센서학회지
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    • 제30권2호
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    • pp.71-75
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    • 2021
  • Recently, transition-metal-based hydroxide materials have attracted significant attention in various electrochemical applications owing to their low cost, high stability, and versatility in composition and morphology. Among these applications, transition-metal-based hydroxides have exhibited significant potential in supercapacitors owing to their multiple redox states that can considerably enhance the supercapacitance performance. In this study, nanostructured Ni-Mn double hydroxide is directly grown on a conductive substrate using an electrodeposition method. Ni-Mn double hydroxide exhibits excellent electrochemical charge-storage properties in a 1 M KOH electrolyte, such as a specific capacitance of 1364 Fg-1 at a current density of 1 mAcm-2 and a capacitance retention of 94% over 3000 charge-discharge cycles at a current density of 10 mAcm-2. The present work demonstrates a scalable, time-saving, and cost-effective approach for the preparation of Ni-Mn double hydroxide with potential application in high-charge-storage kinetics, which can also be extended for other transition-metal-based double hydroxides.

H-induced Magnetism at Stepped Si (100) Surface

  • Lee, Jun-Ho;Cho, Jun-Hyung
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제43회 하계 정기 학술대회 초록집
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    • pp.211-211
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    • 2012
  • Using spin-polarized density-functional theory calculations, we find that the existence of either Peierls instability or antiferromagnetic spin ordering is sensitive to hydrogen passivation near the step. As hydrogens are covered on the terrace, the dangling bond electrons are localized at the step, leading to step-induced states. We investigate the competition between charge and spin orderings in dangling-bond (DB) wires of increasing lengths fabricated on an H-terminated vicinal Si(001) surface. We find antiferromagnetic (AF) ordering to be energetically much more favorable than charge ordering. The energy preference of AF ordering shrinks in an oscillatory way as the wire length increases. This oscillatory behavior can be interpreted in terms of quantum size effects as the DB electrons fill discrete quantum levels.

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150kW급 Huels형 아크 히터 내부의 유동 해석 (NUMERICAL ANALYSIS OF A 150KW HUELS TYPE ARC HEATER)

  • 한상훈;변재윤;김규홍
    • 한국전산유체공학회:학술대회논문집
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    • 한국전산유체공학회 2010년 춘계학술대회논문집
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    • pp.562-566
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    • 2010
  • Numerical analysis of 150kW Huels-type arc jet was performed using compressible Navier-Stokes CFD code. To consider chemical reaction by high temperature, the flow was assumed to be chemical equilibrium states. As a turbulence and a radiation model, the two-equation k-epsilon model and the 3-band radiation model were adopted, respectively. Mass flow rate and current density were given as conditions for calculations. In this study, two kinds of mechanisms for injection of air flow wire considered. One is that air is provided by left wall surface and the other is that air is injected from upper wall surface. The pressure, density and temperature contours of two cases were compared and heat transfer rates were estimated. The numerical results of two cases were not much different to each other. However, in real 150KW device, air is injected from upper wall surface with swirl. To calculate more accurately, swirl effect is must be considered.

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제일원리 LCAO 방법을 이용한 DNA Nucleobase 흡착된 그라핀의 원자 및 전자구조 연구 (A Study on the Atomic and Electronic Structures of DNA-nucleobases-adsorbed Graphene Through First-principles LCAO Method)

  • 이은철
    • 한국전기전자재료학회논문지
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    • 제24권6호
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    • pp.510-514
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    • 2011
  • Based on first-principles LCAO method, we study the electronic and atomic structures of DNA nucleobases adenine (A), thymine (T), guanine (G), and cytosine (C) adsorbed on graphene surfaces. The ${\pi}-{\pi}$ stacking interactions between graphene and nucleobases lead to the bilayer geometries similar to the Bernal stacked graphite. Through the density of states and charge density analyses, it is found that nucleobases are physisorbed on graphene by dispersive interactions with negligible charge exchange. Our calculations reproduce the atomic structures obtained in previous plane wave calculations accurately with much less computation, and well describe the delocalized ${\pi}-{\pi}$ interactions in graphene-nucleobases system, indicating that the LCAO method is very efficient for investigating graphene-bio systems.

Photoinduced Electron Transfer from Excited Ruthenium Complexes at Nanocrystalline $TiO_2$ Electrodes

  • 배종현;김동환;김영일;김강진
    • Bulletin of the Korean Chemical Society
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    • 제18권6호
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    • pp.567-573
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    • 1997
  • Photoinduced electron transfer from the charge-transfer excited states of Ru(tpy)(bpy(COOH)₂)$CN^+$, Ru(tpy)(bpy(COOH)₂)$Cl^+$, Ru(tpy)(bpy(COOH)₂)H₂+O², and Ru(tpy)(bqu(COOH)₂)$Cl^+$ to the conduction band of TiO₂ has been studied through photoelectrochemical methods. Ru(tpy)(bpy(COOH)₂)$CN^+$ produced the highest current density and open-circuit photovoltage, whereas Ru(tpy)(bqy(COOH)₂)$Cl^+$ produced the lowest values. A potential barrier was employed to explain the experimental result that the rate of the electron transfer increases with increasing the energy difference between the donor and acceptor. A sensitizer with a high current density yielded a high photovoltage and a high conversion efficiency. The reduction rate of the oxidized sensitizer decreased with the increases in the reduction potential of the sensitizer, resulting in a poor stability of a photoelectrochemical cell.

광 기록 채널을 위한 간단한 6-ary Runlength-Limited Code (Simple 6-ary Runlength-Limited Code for Optical Storage Channels)

  • 지윤규
    • 대한전자공학회논문지SD
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    • 제43권7호
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    • pp.7-12
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    • 2006
  • 광 기록 채널을 위한 간단한 6-ary(3, 10) runlength-limited(RLL) code를 연구하였다. 이 제안하는 코드는 6개의 state로 나타낼 수 있어 look-up table의 크기를 작게 할 수 있다. 또한 coding density가 $3.33bits/T_{min}$ 이며 96.6%의 code efficiency를 나타내었다.

Laboratory Astrophysics using Intense X-ray from Free Electron Lasers

  • Chung, Moses
    • 천문학회보
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    • 제42권2호
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    • pp.65.4-65.4
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    • 2017
  • The laboratory astrophysics is a new emerging field of basic sciences, and has tremendous discovery potentials. The laboratory astrophysics investigates the basic physical phenomena in the astrophysical objects in controlled and reproducible manners, which has become possible only recently due to the newly-established intense photon and ion beam facilities worldwide. In this presentation, we will introduce several promising ideas for laboratory astrophysics programs that might be readily incorporated in the Pohang Accelerator Laboratory X-ray Free Electron Laser (PAL-XFEL). For example, precise spectroscopic measurements using Electron Beam Ion Trap (EBIT) and intense X-ray photons from the PAL-XFEL can be performed to explore the fundamental processes in high energy X-ray phenomena in the visible universe. Besides, in many violent astrophysical events, the energy density of matter becomes so high that the traditional plasma physics description becomes inapplicable. Generation of such high-energy density states can be also be achieved by using the intense photon beams available from the PAL-XFEL.

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대형.고밀도역 역내 열차 경합 검지 및 해소를 위한 수리 모형 및 해법 (An Algorithm for train conflict detection and resolution occurring in large station with high density traffic)

  • 박범환;김경민;홍순흠;김영훈;안진;이영수;하승태
    • 한국철도학회:학술대회논문집
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    • 한국철도학회 2007년도 춘계학술대회 논문집
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    • pp.1466-1474
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    • 2007
  • In large station with high density traffic, trains is hardly controlled by CTC but by station dispatcher because CTC has difficulties in monitoring all states of affairs happening within the station such as departs and arrivals of many trains from different lines and shunting trains between yards and platforms, etc. Therefore station dispatcher has to make quick decision about how to schedule all trains including trains to arrive and depart before long. And such decisions become harder when an unexpected delay occurs. This study suggests a mathematical model and algorithm about how to detect in advance and resolve efficiently the conflicts occurring within a station and it will be shown how to reduce delay using our approach by means of analysing the schedule of ChyungRyangRi station.

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Enhancing hydrogen evolution activity of MoS2 basal plane by substitutional doping and strain engineering

  • 김병훈;이병주
    • EDISON SW 활용 경진대회 논문집
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    • 제5회(2016년)
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    • pp.280-284
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    • 2016
  • 본 연구에서는 Density functional theory(DFT) 계산을 이용하여, $MoS_2$의 Mo와 S를 다른 원자로 치환 했을 때 $2H-MoS_2$ monolayer의 basal plane에서 HER활성을 향상시켰다. 특히 Ge와 Rh를 치환한 경우, ${\Delta}G_H$가 각각 0.03eV, 0,07eV로 최적에 가까운 HER활성이 나타났다. 다른 원자의 치환이 Fermi level 근처의 DOS(density of states)를 높여, ${\Delta}G_H$을 0에 가깝게 낮출 수 있음을 확인하였다. 또한 치환되는 원자의 농도, 그리고 strain을 변화시켜 농도와 strain의 증가에 따른 ${\Delta}G_H$ 감소를 발견했다. 이로써 각치환되는 원자마다, 치환 농도와 strain을 함께 변화시켜 ${\Delta}G_H$을 낮출 수 있었다. ${\Delta}G_H$가 0에 가까운(${\pm}{\pm}0.2eV$ 이내) 원자종류, 치환 농도, strain의 여러 조합을 찾았다.

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Density Functional Theory Calculation of Molecular Structure and Vibrational Spectra of Dibanzofuran in the Ground Lowest Triplet State.

  • 이상연
    • Bulletin of the Korean Chemical Society
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    • 제22권6호
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    • pp.605-610
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    • 2001
  • The molecular geometries and harmonic vibrational frequencies of dibenzofuran in the ground and lowest triplet state have been calculated using the Hartree-Fock and Becke-3-Lee-Yang-Parr(B3LYP)density functional methods with the 6-31G basis set. Upon the excitation to the lowest triplet state, the molecular structure retains the planar form but distorts from a benzene-like to a quinone-like form in skeleton. Scaled vibrational frequencies for the ground and lowest triplet state obtained from the B3LYP calculation show excellent agreement with the available experimental data. A few vibrational fundamentals for both states are newly assigned based on the B3LYP results.