• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.425-429
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• 2014

Half-metallic nanostructure is highly applicable in the field of Spintronics and electronic device technology. We examine the electronic properties of a ferrocene-based nanowire as a possible candidate for a half-metallic nanostructure using VASP and SIESTA. Ferrocene-based nanowire shows high stability in both binding energy simulation and molecular dynamics (MD) simulation. The density of states (DOS) and the projected DOS of the ferrocene-based nanowire indicate that one-dimensional clustering of ferrocene molecules can be explained because of p-d orbital hybridization between iron and carbon. Half-metallic property and energy dispersion at the Fermi level due to one-dimensional structure is also observed from the DOS results.

• Proceeding of EDISON Challenge
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• 2017.03a
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• pp.428-432
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• 2017

Silicon 기반 Metal-oxide-semiconductor field-effect transistor (MOSFET)의 크기가 감소함에 따라 silicon자체의 물성적 한계가 나타나고 있다. 이를 극복하고자 III-V 화합물 반도체가 채널소자로서 각광받고 있다. 본 연구에서는 III-V 화합물반도체 중 $In_xGa_{1-x}As$는 Indium 조성에 따른 전자구조 및 n-type MOSFET의 소자 특성을 본다. Indium의 조성이 증가함에 따라 subband의 개수와 간격이 증가하게 되어 Density of state가 감소하게 된다. 이로 인하여 Indium의 조성이 증가함에 따라 $In_xGa_{1-x}As$ 채널 MOSFET에서 상대적으로 Fermi level을 더 많이 상승시키게 되어 potential barrier를 얇아지게 만들며 또한 에너지에 따른 전류 밀도를 넓게 분포하도록 만든다. 이로 인하여 단채널에서는 In 조성이 증가함에 따라 direct source-to-drain tunnelling current이 증가하게 된다. 이로 인하여 In 조성의 증가에 따라 subthreshold swing과 ON-state current가 저하된다.

• Bulletin of the Korean Chemical Society
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• v.33 no.1
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• pp.153-158
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• 2012

The hydrogenation of $AlB_2$-type BaGaGe exhibits a metal to insulator (MI) transition, inducing a puckering distortion of the original hexagonal [GaGe] layers. We investigate the electronic structure changes associated with the hydrogen-induced MI transition, using extended H$\ddot{u}$ckel tight-binding band calculations. The results indicate that hydrogen incorporation in the precursor BaGaGe is characterized by an antibonding interaction of $\pi$ on GaGe with hydrogen 1s and the second-order mixing of the singly occupied antibonding $\pi^*$ orbital into it, through Ga-H bond formation. As a result, the fully occupied bonding $\pi$ band in BaGaGe changes to a weakly dispersive band with Ge pz (lone pair) character in the hydride, which becomes located just below the Fermi level. The Ga-Ge bonds within a layered polyanion are slightly weakened by hydrogen incorporation. A rationale for this is given.

• Proceedings of the Materials Research Society of Korea Conference
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• 2012.05a
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• pp.67.2-67.2
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• 2012

Graphene is expected to have a significant impact in various fields in the foreseeable future. For example, graphene is considered to be a promising candidate to replace indium tin oxide (ITO) as transparent conductive electrodes in optoelectronics applications. We report the tunability of the wavelength of localized surface plasmon resonance by varying the distance between graphene and Au nanoparticles [1]. It is estimated that every nanometer of change in the distance between graphene and the nanoparticles corresponds to a resonance wavelength shift of ~12 nm. The nanoparticle-graphene separation changes the coupling strength of the electromagnetic field of the excited plasmons in the nanoparticles and the antiparallel image dipoles in graphene. We also show a hysteresis in the conductance and capacitance can serve as a platform for graphene memory devices. We report the hysteresis in capacitance-voltage measurements on top gated bilayer graphene which provide a direct experimental evidence of the existence of charge traps as the cause for the hysteresis [2]. By applying a back gate bias to tune the Fermi level, an opposite sequence of switching with the different charge carriers, holes and electrons, is found [3]. The charging and discharging effect is proposed to explain this ambipolar bistable hysteretic switching.

• Journal of the Semiconductor & Display Technology
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• v.4 no.2 s.11
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• pp.1-5
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• 2005

Electon spin resonance measurements have been performed on the Mg-doped wurtzite GaN thin films grown on sapphire substrates by low-pressure metal-organic chemical vapor deposition. The sample set included films as-grown with the regular Mg doped and Mg delta doped samples and the corresponding annealed ones. The resonance signal has been observed from the annealed Mg delta-doped sample with the Lande g value of 2.029. This indicates that the singlet resonance signal originates from the neutral Mg acceptor located at 0.24 eV above the valence band edge and 0.13 eV above the Fermi level because of the nuclear hyperfine spin 1=0 of Mg and the larger value than the free electron g=2.0023.

• Journal of the Korean Institute of Telematics and Electronics
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• v.10 no.1
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• pp.27-35
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• 1973

The electronic states of carrier capture centers in reverse biased point-contact germanium diodes have been investigated through the tomperature-and reverse voltage-characteristics of burst noise. The measured values of the time constants wllich represent the electronic states of the centers are extended up to greater than ten minutes, which are about 10,000 times greater than the ones obtained by other investigators. From the relation between these time constants and temperatures, the quasi-Peymi level and the activation energy of the center have been obtained.

• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2491-2494
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• 2013

The effect of additives in an electrolyte solution on the conversion efficiency of a dye sensitized solar cell was investigated. A density functional theory (DFT) method was used to examine the physical and chemical properties of nitrogen-containing additives adsorbed on a $TiO_2$ surface. Our results show that additives which cause lower partial charges, higher Fermi level shifts, and greater adsorption energies tend to improve the performance of DSSCs. Steric effects that prevent energy losses due to electron recombination were also found to have a positive effect on the conversion efficiency. In this work, 3-amino-5-methylthio-1H-1,2,4-triazole (AMT) has been suggested as a better additive than the most popular additive, TBP, and verified with experiments.

• Proceedings of the KIEE Conference
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• 1987.07a
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• pp.513-516
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• 1987

Hydrogenated amorphous silicon (a-Si:H) films have been deposited, for thye first time, by a remote plasma chemical vapor deposition. The hydrogen radical play a important role to control the deposition rate, The bonded hydrogen content to silicon is independent of hydrogen partial pressure in the plasma. Optical gap of deposited a-Si:H lies between 1.7eV and 1.8eV and all samples have sharp absorption edge. B-doped a-Si:H films by a RPECVD has a high doping efficiency compared with plasma CVD. The Fermi level of 100ppm B-doped film lies at 0.5eV above valence band edge.

• Proceeding of EDISON Challenge
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• 2016.03a
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• pp.299-304
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• 2016

2차원 반도체 소재의 경우 물질종류마다 내포하고 있는 고유결함에 의해서 Fermi-Level Pinning 이 발생하여 이로 인한 Schottky Barrier transistor로 동작을 하게 되며, 이는 접합부에 Carrier Injection 정도와 Schottky Barrier을 통과하는 Tunneling 정도에 의해서 소자의 특성이 결정 된다. 본 연구에서는 시뮬레이션을 통하여 2차원 반도체인 $MoS_2$소자를 설계하고, S/D Doping에 따라 접촉 저항 개선 효과와 소자의 동작특성이 어떠한 영향을 미치는지 연구하여 최대 $250cm^2/V{\cdot}sec$의 field effect mobility 의 결과를 얻었다. 또한 S/D doping 에 따라 각 저항 성분의 영향을 분석하였으며 면저항 및 접촉 저항 둘 다 doping 농도가 증가함에 따라 감소하는 결과를 나타내며, S/D doping의 영향은 접촉저항에서 더 크게 나타났다. 더불어 2차원 반도체의 Resistance network model 을 제안하여 subthreshold 영역에서는 $R_{ic}$, saturation 영역에서는 $R_{ish}$ 가 전체저항에서 주요한 변수로 전체저항식에 포함되어야 한다는 것을 시뮬레이션을 통해서 검증하였다.

• Proceeding of EDISON Challenge
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• 2016.03a
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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.