• Bulletin of the Korean Chemical Society
• /
• 제34권2호
• /
• pp.661-664
• /
• 2013

• EDISON SW 활용 경진대회 논문집
• /
• 제4회(2015년)
• /
• pp.367-370
• /
• 2015

Monolayer transition metal dicalcogenide (TMDC) materials are currently attracting extensive attention due to their distinctive electronic, transport, and optical properties. For example, monolayer $MoS_2$ exhibits a direct band gap in the visible frequency range, which makes it an attractive candidate for the photocatalytic water splitting. For the photoelectrochemical water splitting, the appropriate band edge positions that overlap with the water redox potential are necessary. Similarly, appropriate band level alignments will be crucial for the light emitting diode and photovoltaic applications utlizing heterojunctions between two TMDC materials. Carrying out first-principles calculations, we here investigate how the band edges of $MoS_2$ can be adjusted by surface ligand functionalization. This study will provide useful information for the realization of ligand-based band engineering of monolayer $MoS_2$ for various electronic, energy, and bio device applications.

• 한국전기전자재료학회:학술대회논문집
• /
• 한국전기전자재료학회 2008년도 추계학술대회 논문집 Vol.21
• /
• pp.139-140
• /
• 2008

In this study, the photocurrent (PC) spectroscopy of undoped p-type CIS layers has been investigated at temperatures ranging from 10 to 293 K. Three peaks, A, B, and C, corresponded to the intrinsic transition from the valence band states off $\Gamma_7$(A), $\Gamma_6$(B), and $\Gamma_7$(C) to the conduction band state $\Gamma_6$, respectively. The crystal field splitting and the spin orbit splitting were found at 0.0059 and 0.2301 eV, respectively, and the temperature dependence of the optical band gap could be expressed by using the empirical equation $E_g$(T) = $E_g$(0) - $(8.57\times10^{-4)T^2$/(T + 129). But the behavior of the PC was different from that generally observed in other semiconductors: the PC intensities decreased with decreasing temperature. From the relation of log $J_{ph}$ vs 1/T, where $J_{ph}$ is the PC density, the dominant level was observed at the higher temperatures. We suggest that in undoped p-type CIS layers, the trapping center limits the PC signal due to native defects and impurities with decreasing temperature.

• Rapid Communication in Photoscience
• /
• 제4권4호
• /
• pp.82-85
• /
• 2015

Photoelectrochemical cell (PEC) is one of the attractive ways to produce clean and renewable energy. However, solar to hydrogen production via PEC system generally requires high external bias, because of material's innate electronic band potential relative to hydrogen reduction potential and/or charge separation issue. For spontaneous photo-water splitting, here, we design dye-sensitized solar cell (DSSC) and their monolithic tandem cell incorporated with a $BiVO_4$ photoanode. $BiVO_4$ has high conduction band edge potential and suitable band gap (2.4eV) to absorb visible light. To achieve efficient $BiVO_4$ photoanode system, electron and hole mobility should be improved, and we demonstrate a tandem cell in which $BiVO_4/WO_3$ film is connected to cobalt complex based DSSC.

• Nano
• /
• 제13권12호
• /
• pp.1850138.1-1850138.6
• /
• 2018

Two-dimensional (2D) or layered materials have a great potential for applications in energy storage, catalysis, optoelectronics and gas separation. Fabricating novel 2D or quasi-2D layered materials composed of relatively abundant and inexpensive atomic species is an important issue for practical usage in industry. Here, we suggest the layer-structured AlOOH (Boehmite) as a promising candidate for such applications. Boehmite is a well-known layer-structured material and a single-layer can be exfoliated from the bulk boehmite by breaking the interlayer hydrogen bonding. We study atomic and electronic band structures of both bulk and single-layer boehmite, and also obtain the single-layer exfoliation energy using first-principles calculations.

• 한국안광학회지
• /
• 제4권2호
• /
• pp.97-103
• /
• 1999

ZnS 화합물은 근자외선 영역의 직접천이형 띠 간격을 갖으며 청색 발광 다이오드나 레이저의 소재로 기대되는 물질이다. 결정구조는 X선 회절무늬를 분석한 결과 zinc blonde구조임을 알 수 있었다. 격자상수는 $a_o=5.411{\AA}$이었다. ZnS단결정의 광학적 흡수, 광전류와 광발광 스펙트럼 등 광학적 특성을 조사하였다. 광학적 띠간격 에너지는 3.61eV이었고 $800^{\circ}C$에서 열처리한 ZnS의 띠 간격 에너지는 광전류 측정 결과 as-grown-ZnS에 비하여 0.1eV 정도 작아짐을 알 수 었었다. 광발광 스펙트럼은 30K에서 293K까지 as-grown-ZnS와 $800^{\circ}C$에서 열처리한 경우에 대하여 각각 측정되었다. As-grown ZnS단결정의 광발광 피크는 350nm, 392nm, 465nm에서 $800^{\circ}C$에서 열처리한 경우 349nm, 370nm, 394nm 518nm, 572nm에서 각각 측정되었다.

• 한국진공학회지
• /
• 제9권3호
• /
• pp.254-257
• /
• 2000

MBE 법으로 GaAs 기판 위에 성장시킨 $Cd_{1-x}Mg_x/Te$ 박막시료를 조성비(x=0, 0.23, 0.43)에 따라 타원편광 분석기로 측정하여 연구하였다. 기존에 보고된 고상시료(bulk)의 결과와 비교한 결과, 첫째 $E_0$ 밴드갭 에너지 아래에서 나타나는 간섭무늬를 확인할 수 있었고, 이는 박막이 투명함을 보여주는 사실이며 그 결과 이번 시료의 우수성을 확인할 수 있었다. 둘째 $E_2$밴드갭 에너지 영역에서 종전의 고상시료에서 측정 발표된 값보다도 매우 높고 명확한 <$\varepsilon_2$> 값이 측정되어, $E_2$와 $E_0$' 밴드갭 에너지가 명확히 분리되는 것을 보았다. 간섭무늬를 제거하기 위해 다층구조계산(multilayer calculation)을 수행하여 x=0.23일 때의 $E_0$ 밴드갭 에너지를 볼 수 있었다.

• 대한전자공학회논문지
• /
• 제25권3호
• /
• pp.287-293
• /
• 1988

This paper calculates the band structure of the GaAs/(Al,Ga) As semiconductor superlttice with the interface3 grading, in consideration of different effective masses in each region. Including the effective masses, superlattice period, well and barrier widths, and the interface, the dispersion relation is derived, and the effects that the above parameters affect the subband (or miniband) structure of the superlattice and effective energy gap are investigated. It is particularly found that this case(ma<>mb<>mc) is significantly different from the same effective mass case(ma<>mb<>mc).

• EDISON SW 활용 경진대회 논문집
• /
• 제2회(2013년)
• /
• pp.228-231
• /
• 2013

In this study, we investigate the electronic and atomic structure of graphene on O-terminated MgO(111) using density functional theory (DFT) calculations. To suggest a possible direction for future band gap engineering of graphene on MgO(111), adsorption of carbon atoms on graphene/MgO(111) is studied by considering the several adsorption sites. Details in adsorption properties of carbon atoms on graphene/MgO(111) are analyzed in terms of energy band structure.

• E2M - 전기 전자와 첨단 소재
• /
• 제10권2호
• /
• pp.105-112
• /
• 1997

Undoped and Co$^{2+}$-doped Zn$_{4}$GeSe$_{6}$ single crystals were grown by the Chemical Transport Reaction method using iodine as a transporting agent. The crystal structure of these compounds determined by X-ray diffraction analysis was monoclinic structure. The direct energy gaps of these compounds were measured and the temperature dependence of the optical energy gap were closely investigated over the temperature range 10-290K. The temperature dependence of the optical energy gap is well presented by the Varshni equation. Also the optical absorption peaks of Zn$_{4}$GeSe$_{6}$ :Co$^{2+}$ single crystal observed, centered at 5437, 6079, 7142, 12950, 13462, 14786 and 15735 $cm^{-1}$ /, can be explained in terms of the electronic transitions of Co$^{2+}$ ions located at Td symmetry of the host materials. According to the crystal-field theory, the crystal-field, Racah and spin-orbit coupling parameters obtained from the absorption bands are given by Dq = 361$cm^{-1}$ /, B = 655$cm^{-1}$ / and .lambda. = 284$cm^{-1}$ / respectively.ively.