• Bulletin of the Korean Chemical Society
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• 제21권5호
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• pp.497-502
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• 2000

Quantum mechanical analysis is presented for the photodissociation dynamics of the v'=4 levels of the $A^2Σ^+$ state of the OH molecule. We focus on the effects of the multichannel interactions between the asymptotically degenerate states in the recoupling region to see how they affect the dynamics near the predissociating resonances. Both the scalar (total cross section and branching ratios) and the vector properties (angular distributions and alignment parameters) of O($^3P_j, j=0, 1, 2) are treated. The resonances are predicted to be highly Lorentzian, and the branching ratios do not change much across them. Vector properties, however, show very delicate effects of the multichannel interactions and overlapping near the isolated and overlapping resonances. Computed resonance lifetimes agree reasonably well with experimental results.

• Bulletin of the Korean Chemical Society
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• 제23권2호
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• pp.229-240
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• 2002

Quantum mechanical calculation is performed for the $O(^1D)$ + HCl ${\rightarrow}$OH + Cl reaction using Reactive Infinite Order Sudden Approximation. Shifting approximation is also employed for the l ${\neq}$ 0 partial wave contributions. Various dynamical quantities are calculated and compared with available experimental results and quasiclassical trajectory results. Vibrational distributions agree well with experimental results i.e. product states mostly populated at $v_f$ = 3, 4. Our results also show small peak at $v_f$ = 0, which indicates bimodal vibrational distribution. The results show two significant broad peaks in ${\gamma}_i$ dependence of the cross section, one is at ${\gamma}_i$ = $15^{\circ}-35^{\circ}$ and the another is at ${\gamma}_i$= $55^{\circ}-75^{\circ}$ which can be explained as steric effects. At smaller gi, the distribution is peaked only at higher state ($v_f$ = 3, 4) while at the larger gi, both lower state ($v_f$ = 0) and higher state ($v_f$ = 3, 4) are significantly populated. Such two competing contributions (smaller and larger ${\gamma}_i$) result in the bimodal distribution. From these points we suggest two mechanisms underlying in current reaction system: one is that reaction occurs in a direct way, while the another is that reaction occurs in a indirect way.

• 센서학회지
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• 제29권2호
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• pp.105-111
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• 2020

Interest and demand for hydrogen sensors are increasing in the field of H₂ leakage detection during storage/transport/use and detection of H₂ dissolved in transformer oil for safety issues as well as in the field of breath analysis for non-invasively diagnosing a number of disease states for a healthy life. In this study, various ZnO-based sensors were synthesized by controlling the reduction in crystallite size, decoration of Pt nanoparticles, doping of electron donating atoms, and doping of various atoms with different ionic radii. The sensing response of the various prepared ZnO-based nanoparticles and quantum dots (QDs) for 10 ppm H₂ was investigated. Among the samples, the smallest-sized (3.5 nm) In³⁺-doped ZnO QDs showed the best sensing response, which is superior to those in previously reported hydrogen sensors based on semiconducting metal oxides. The higher sensing response of In-doped ZnO QDs is attributed to the synergic effects of the increased number of oxygen vacancies, higher optical band gap, and larger specific surface area.

• The Korean Journal of Ceramics
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• 제6권3호
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• pp.309-314
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• 2000

In the present study, preliminary experimental results of the change in the properties of perovskite-type oxides caused by the $^{18}O$- exchange have been reported. Two systems were selected for the exchange, (1) $ATiO_3$(A=Ca,Sr,Ba) and (2) manganese perovskite. The dielectric properties of isotope-exchanged $SrTi^{18}O_3$showed a drastic change from a quantum paraelectricity below 3K to ferroelectric-like behavior with a peak at 23K and an enhanced dielectric constant, 35000 at the peak. On the contrary, the $T_c$ for $BaTiO_3$was found to increase by 0.9K. The observed isotope shift of $T_c$ as well as $T_co$ for the manganese perovskites is correlated with the key parameters controlling the lattice such as $Mn^{3+}$ content, average ionic radius of the A-site cation <$r_A$> ad A-site ionic disorder $\sigma^2$.

• Korean Chemical Engineering Research
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• 제54권2호
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• pp.274-277
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• 2016

녹색 발광다이오드의 다양자우물층과 전자막이층 사이에 p형 중간층 삽입이 소자의 특성에 미치는 영향이 소자 시뮬레이션을 통하여 연구되었다. 중간층의 Mg 도핑 깊이에 따른 발광다이오드의 전류-전압, 발광파장, 누설전류, 광효율 특성이 분석되었으며 최적의 발광 특성을 나타내는 소자 구조가 제시되었다. 중간층 전 영역이 p형으로 도핑된 구조와 30 nm까지 도핑된 구조는 누설전류 억제를 통하여 녹색 발광다이오드의 가장 큰 문제점 중에 하나인 효율 드룹 현상을 효과적으로 완화하였다. 특히, 30 nm까지 도핑된 구조는 전류-전압 및 발광 특성에 있어서 가장 향상된 결과를 보였다.

• 한국광학회:학술대회논문집
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• 한국광학회 1995년도 광학 및 양자전자학 워크샵 논문집
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• pp.127-137
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• 1995

Anomalously large real space charge transfer through thick barries in GaAs asymmetric double quantum wells is studied by photoluminesence exitation. This inter-well excitonic transfer is very large when the barrier is the Al0.3Ga0.7As alloy, but disappears when the barrier is GaAs/AlAs digital alloy with an equivalent Al concentration of 0.28. These resilts combined with observed x and barrier thickness depence suggest that the spatial fluctuation of the atomic arrangment of Ga and Al in the alloy may be responsible for this transfer. This picture is supported by the quantum mechanical calculation in three dimensions which takes into account the side fluctuation effects.

• Bulletin of the Korean Chemical Society
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• 제35권3호
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• pp.775-782
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• 2014

The importance of including spin-orbit interactions for the correct description of structures and vibrational frequencies of haloiodomethanes is demonstrated by density functional theory calculations with spin-orbit relativistic effective core potentials (SO-DFT). The vibrational frequencies and the molecular geometries obtained by SO-DFT calculations do not match with the experimental results as well as for other cations without significant relativistic effects. In this sense, the present data can be considered as a guideline in the development of the relativistic quantum chemical methods. The influence of spin-orbit effects on the bending frequency of the cation could well be recognized by comparing the experimental and calculated results for $CH_2BrI$ and $CH_2ClI$ cations. Spin-orbit effects on the geometries and vibrational frequencies of $CH_2XI$ (X=F, Cl, Br, and I) neutral are negligible except that C-I bond lengths of haloiodomethane neutral is slightly increased by the inclusion of spin-orbit effects. The $^2A^{\prime}$ and $^2A^{{\prime}{\prime}}$ states were found in the cations of haloiodomethanes and mix due to the spin-orbit interactions and generate two $^2E_{1/2}$ fine-structure states. The geometries of $CH_2XI^+$ (X=F and Cl) from SO-DFT calculations are roughly in the middle of two cation geometries from DFT calculations since two cation states of $CH_2XI$ (X=F and Cl) from DFT calculations are energetically close enough to mix two cation states. The geometries of $CH_2XI^+$ (X=Br and I) from SO-DFT calculations are close to that of the most stable cation from DFT calculations since two cation states of $CH_2XI$(X=Br and I) from DFT calculations are energetically well separated near the fine-structure state minimum.

• 한국재료학회지
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• 제17권7호
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• pp.390-395
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• 2007

We systematically investigated the effects of InAs coverage variation, two-step annealing and an asymmetric InGaAs quantum well (QW) on the structural and optical characteristics of InAs quantum dots (QDs) by using atomic force microscopy (AFM), transmission electron microscopy (TEM) and photoluminescence (PL) measurement. The transition of size distribution of InAs QDs from bimodal to multi-modal was noticeably observed with increasing InAs coverage. By means of two-step annealing, it is found that significant narrowing of the luminescence linewidth (from 132 to 31 meV) from the InAs QDs occurs together with about 150 meV blueshift, compared to as-grown InAs QDs. Finally, the InAs QDs emitting at longer wavelength of $1.3\;{\mu}m$ with narrow linewidth were grown by an asymmetric InGaAs QW. The excited-state transition for the InAs QDs with an asymmetric InGaAs QW was not noticeably observed due to the large energy-level spacing between the ground states and the first excited states. The InAs QDs with an asymmetric InGaAs QW will be promising for the device applications such as $1.3\;{\mu}m$ optical-fiber communication.

• 한국진공학회지
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• 제19권5호
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• pp.365-370
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• 2010

분자선 에피택시 방법을 이용하여 GaAs 기판 위에 GaAs 및 AlGaAs 에피층을 성장하면서 성장 멈춤 효과를 연구하였다. 성장 멈춤 시간에 따른 에피층 성장 과정은 반사 고에너지 전자회절로 측정하였다. 성장 멈춤 시간은 0, 15, 30, 60초로 하였다. 그리고 성장 멈춤 시간을 달리하여 GaAs/$Al_{0.3}Ga_{0.7}As$ 다양자우물을 성장한 후 양자우물의 특성을 조사하였다. 반사 고에너지 전자회절의 강도 진동은 성장 멈춤 시간에 영향을 받고 있었다. 그리고 양자우물의 광특성도 성장 멈춤 시간에 의존하고 있었다. 성장 멈춤 시간이 30초일 때 우물과 장벽층 사이에 급준한 계면을 가지는 에피층을 얻을 수 있었다.

• 한국진공학회지
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• 제20권6호
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• pp.449-455
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• 2011

$In_{0.4}Al_{0.6}As$ 버퍼층의 성장온도 변화에 따른 $In_{0.5}Ga_{0.5}As/In_{0.5}Al_{0.5}As$ 다중양자우물(multiple quantum wells, MQWs)의 광학적 특성을 포토루미네션스(photoluminescence, PL)와 시간분해 포토루미네션스(time-resolved PL, TRPL) 측정을 이용하여 분석하였다. $In_{0.4}Al_{0.6}As$ 버퍼층은 기판의 온도를 $320^{\circ}C$에서 $580^{\circ}C$까지 다양하게 변화시키며 $1{\mu}m$ 성장하였으며, 그 위에 $In_{0.5}Al_{0.5}As$ 층을 $480^{\circ}C$에서 $1{\mu}m$ 성장한 후 InGaAs/InAlAs MQWs을 성장하였다. MQWs는 6-nm, 4-nm, 그리고 2.5-nm 두께의 $In_{0.5}Ga_{0.5}As$ 양자우물과 10-nm 두께의 $In_{0.5}Al_{0.5}As$ 장벽으로 이루어졌다. 4-nm QW과 6-nm QW로부터 PL 피크가 나타났으나, $In_{0.4}Al_{0.6}As$ 성장온도 변화가 가장 큰($320^{\circ}C$에서 $580^{\circ}C$까지 변화) 시료는 6-nm QW에서의 PL 피크만 나타났다. 낮은 온도($320^{\circ}C$에서 $480^{\circ}C$까지 변화)에서 성장한 $In_{0.4}Al_{0.6}As$ 버퍼층 위에 성장한 MQWs의 PL 특성이 우수하게 나타났다. 발광파장에 따른 TRPL 결과로 4-nm QW과 6-nm QW에서의 캐리어 소멸시간을 얻었다.