• Bulletin of the Korean Chemical Society
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• v.21 no.5
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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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• v.23 no.2
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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.

• Journal of Sensor Science and Technology
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• v.29 no.2
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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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• v.6 no.3
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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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• v.54 no.2
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• pp.274-277
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• 2016

Effects of interlayer insertion between multi-quantum well and electron blocking layer of green light emitting diode on diode performances were studied by device simulation. Dependence of Mg doping depth on characteristics of current-voltage, emitting wavelength, leakage current, and external quantum efficiency was investigated, and the optimum diode structure was presented. Device structures with interlayers doped in entire region and up to 30 nm showed remarkable reduced leakage current and effectively relieved efficiency droop which is one of the biggest challenges in green light emitting diode. Furthermore, the most improved characteristics in current-voltage and electroluminescence was obtained by the latter structure.

• Proceedings of the Optical Society of Korea Conference
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• 1995.06a
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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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• v.35 no.3
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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.

• Korean Journal of Materials Research
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• v.17 no.7
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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.

• Journal of the Korean Vacuum Society
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• v.19 no.5
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• pp.365-370
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• 2010

The growth interruption effects on growth mode of the GaAs and AlGaAs epitaxial layers grown on GaAs substrate by molecular beam epitaxy were investigated. Growth process of the epitaxial layers as a function of the growth interruption time was observed by reflection high energy electron diffraction (RHEED). The growth interruption time was 0, 15, 30, 60 s. The GaAs/$Al_{0.3}Ga_{0.7}As$ multi quantum wells (MQWs) with different growth interruption time were grown and its properties were investigated. RHEED intensity oscillation and optical property of the MQWs were dependent on the growth interruption time. When the growth interruption time was 30 s, interface between the well and barrier layers became sharper.

• Journal of the Korean Vacuum Society
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• v.20 no.6
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• pp.449-455
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• 2011

The luminescence properties of $In_{0.5}Ga_{0.5}As/In_{0.5}Al_{0.5}As$ multiple quantum wells (MQWs) grown on $In_{0.4}Al_{0.6}As$ buffer layer have been investigated by using photoluminescence (PL) and time-resolved PL measurements. A 1-${\mu}m$-thick $In_{0.4}Al_{0.6}As$ buffer layers were deposited at various temperatures from $320^{\circ}C$ to $580^{\circ}C$ on a 500-nm-thick GaAs layer, and then 1-${\mu}m$-thick $In_{0.5}Al_{0.5}As$ layers were deposited at $480^{\circ}C$, followed by the deposition of the InGaAs/InAlAs MQWs. In order to study the effects of $In_{0.4}Al_{0.6}As$ layer on the optical properties of the MQWs, four different temperature sequences are used for the growth of $In_{0.4}Al_{0.6}As$ buffer layer. The MQWs consist of three $In_{0.5}Al_{0.5}As$ wells with different well thicknesses (2.5-nm, 4.0-nm, and 6.0-nm-thick) and 10-nm-thick $In_{0.5}Al_{0.5}As$ barriers. The PL peaks from 4-nm QW and 6-nm QW were observed. However, for the MQWs on the $In_{0.4}Al_{0.6}As$ layer grown by using the largest growth temperature variation (320-$580^{\circ}C$), the PL spectrum only showed a PL peak from 6-nm QW. The carrier decay times in the 4-nm QW and 6-nm QW were measured from the emission wavelength dependence of PL decay. These results indicated that the growth temperatures of $In_{0.4}Al_{0.6}As$ layer affect the optical properties of the MQWs.