• Bulletin of the Korean Chemical Society
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• v.7 no.5
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• pp.391-395
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• 1986

MNDO calculations were carried out to determine reactant complexes and transition states of the $S_N2$ reactions of $CH_3X\;+\;Y^-\;{\to}\;CH_3Y\;+\;X^-$ where X = F, Cl, CN and Y = CN, OH, F, Cl. The leaving group ability was found to vary inversely with the activation barrier, which in turn was mainly ascribable to the deformation energies accompanied with bond stretching of C-X bond and inversion of $CH_3$ group. The nucleophilicity was shown to be in the order $Cl^->F^->OH^->CN^-$ but the effect on the activation barrier was relatively small compared with that of the leaving group. The bond breaking and bond formation indices and energy decomposition analysis showed that the TS for the reaction of $CH_3$Cl occurs in the early stage of the reaction coordinate relative to that of $CH_3$F. It has been shown that the potential energy surface (PES) diagrams approach can only accommodate thermodynamic effects but fails to correlate intrinsic kinetic effects on the TS structure.

• JSTS:Journal of Semiconductor Technology and Science
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• v.10 no.3
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• pp.203-212
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• 2010

In this paper, we present an analytical model for the first eigen energy level ($E_0$) of the carriers in the inversion layer in present generation MOSFETs, having ultrathin gate oxides and high substrate doping concentrations. Commonly used approaches to evaluate $E_0$ make either or both of the following two assumptions: one is that the barrier height at the oxide-semiconductor interface is infinite (with the consequence that the wave function at this interface is forced to zero), while the other is the triangular potential well approximation within the semiconductor (resulting in a constant electric field throughout the semiconductor, equal to the surface electric field). Obviously, both these assumptions are wrong, however, in order to correctly account for these two effects, one needs to solve Schrodinger and Poisson equations simultaneously, with the approach turning numerical and computationally intensive. In this work, we have derived a closed-form analytical expression for $E_0$, with due considerations for both the assumptions mentioned above. In order to account for the finite barrier height at the oxide-semiconductor interface, we have used the asymptotic approximations of the Airy function integrals to find the wave functions at the oxide and the semiconductor. Then, by applying the boundary condition at the oxide-semiconductor interface, we developed the model for $E_0$. With regard to the second assumption, we proposed the inclusion of a fitting parameter in the wellknown effective electric field model. The results matched very well with those obtained from Li's model. Another unique contribution of this work is to explicitly account for the finite oxide-semiconductor barrier height, which none of the reported works considered.

• Journal of the Korea Institute of Information and Communication Engineering
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• v.21 no.8
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• pp.1465-1470
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• 2017

In conventional MOSFETs, the silicon thickness is always larger than inversion layer, so that the drain induced barrier lowering (DIBL) is expressed as a function of oxide thickness and channel length regardless of silicon thickness. However, since the silicon thickness is fully depleted in the sub-10 nm low doped double gate (DG) MOSFET, the conventional SPICE model for DIBL is no longer available. Therefore, we propose a novel DIBL SPICE model for DGMOSFETs. In order to analyze this, a thermionic emission and the tunneling current was obtained by the potential and WKB approximation. As a result, it was found that the DIBL was proportional to the sum of the top and bottom oxide thicknesses and the square of the silicon thickness, and inversely proportional to the third power of the channel length. Particularly, static feedback coefficient of SPICE parameter can be used between 1 and 2 as a reasonable parameter.

• The Journal of Natural Sciences
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• v.16 no.1
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• pp.129-141
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• 2005

The equilibrium geometry, adiabatic electron affinity, harmonic vibrational frequencies, and infrared intensities of 1,4,6,9-Tetra chlorinated dibenzo-$\rho$-dioxin anion have been studied using B3LYP method. The local minimum conformation is found to be twisted form with $D_2$ symmetry. The predicted adiabatic electron affinity is 0.54 eV. The predicted inversion barrier between twisted and planar conformers was 0.9 kcal/mol, thus we expect that experimentally observed structure seems to be planar. the characteristic IR band of 1,4,6,9-TCDD anion appears at 1510 $cm^4$, which is a benzene ring skeleton vibration mode related with CaCb and C2C3 bond. this characteristic band could be sued for identication of 1,4,6,9-TCDD anion.

• ETRI Journal
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• v.32 no.1
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• pp.68-72
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• 2010

The coupling between the transverse and longitudinal components of the channel electron motion in NMOS devices leads to a reduction in the barrier height. Therefore, this study theoretically investigates the effects of the in-plane velocity of channel electrons on the capacitance-voltage characteristics of nano NMOS devices under inversion bias. Numerical calculation via a self-consistent solution to the coupled Schrodinger equation and Poisson equation is used in the investigation. The results demonstrate that such a coupling largely affects capacitance-voltage characteristic when the in-plane velocity of channel electrons is high. The ballistic transport ensures a high in-plane momentum. It suggests that such a coupling should be considered in the quantum capacitance-voltage modeling in ballistic transport devices.

• Journal of Electrical Engineering and information Science
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• v.2 no.6
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• pp.208-211
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• 1997

We have fabricated a single-electron-tunneling(SET) transistor with a dual gate geometry based on the SOI structure prepared by SIMOX wafers. The split-gate is the lower-gate is the lower-level gate and located ∼ 100${\AA}$ right above the inversion layer 2DEG active channel, which yields strong carrier confinement with fully controllable tunneling potential barrier. The transistor is operating at low temperatures and exhibits the single electron tunneling behavior through nano-size quantum dot. The Coulomb-Blockade oscillation is demonstrated at 15mK and its periodicity of 16.4mV in the upper-gate voltage corresponds to the formation of quantum dots with a capacity of 9.7aF. For non-linear transport regime, Coulomb-staircases are clearly observed up to four current steps in the range of 100mV drain-source bias. The I-V characteristics near the zero-bias displays typical Coulomb-gap due to one-electron charging effect.

• Journal of the Korean Applied Science and Technology
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• v.37 no.6
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• pp.1738-1751
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• 2020

The skin is divided into three parts: the epidermis, the dermis, and the subcutaneous fat, and the stratum corneum, which is located at the top of the epidermis, acts as a barrier that prevents drug delivery. Nanoemulsions are known to be effective in transdermal delivery of drugs through intercellular lipids because of their unique small particle size. In this study, phase inversion temperature (PIT) nanoemulsion containing α-bisabolol was optimized using response surface methodology (RSM) for effective skin absorption of α-bisabolol. As a preliminary experiment, the 25-2 fractional factorial design method and the 23 full factorial design method were performed. Box-Behnken design was performed based on the results of the factorial design method. The content of surfactant (6.3~12.6%), co-surfactant (5.2~7.8%) and α-bisabolol (0.5~5.0%) were used as factors, and the dependent variable was the particle size of the nanoemulsion. PIT nanoemulsion optimization was performed according to the RSM results, and as a result, the optimal nanoemulsion formulation conditions were predicted to be 10.4% surfactant content, 6.3% co-surfactant content, and 5.0% α-bisabolol content. As a result of the skin absorption test, the final skin absorption rate of the PIT nanoemulsion was 35.11±1.01%, and the final skin absorption rate of the general emulsion as a control was 28.25±1.69%, confirming that the skin absorption rate of the PIT nanoemulsion was better.

• Journal of Electrical Engineering and Technology
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• v.1 no.3
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• pp.396-405
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• 2006

The visual analysis of buried channel (Be) devices such as buried channel MOSFETs and CCDs (Charge Coupled Devices) is investigated to give better understanding and insight for their electrical behaviours using a 3-dimensional (3-D) numerical simulation. This paper clearly demonstrates the capability of the numerical simulation of 'EVEREST' for characterising the analysis of a depletion mode MOSFET and BC CCD, which is a simulation software package of the semiconductor device. The inverse threshold and punch-through voltages obtained from the simulations showed an excellent agreement with those from the measurement involving errors of within approximately 1.8% and 6%, respectively, leading to the channel implanted doping profile of only approximately $4{\sim}5%$ error. For simulation of a buried channel CCD an advanced adaptive discretising technique was used to provide more accurate analysis for the potential barrier height between two channels and depletion depth of a deep depletion CCD, thereby reducing the CPU running time and computer storage requirements. The simulated result for the depletion depth also showed good agreement with the measurement. Thus, the results obtained from this simulation can be employed as the input data of a circuit simulator.

• Journal of Life Science
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• v.33 no.11
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• pp.905-914
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• 2023

To evaluate the effectiveness of the skin barrier improvement of lactic acid (LA) and gluconolactone (GL), the expression of filaggrin, loricrin, hyaluronic acid (HA), hyaluronan syhthase-2 (HAS2), and aquaporine-3 (AQP3) in keratinocytes, and the moisture content and transepidermal water loss (TEWL) by clinical trials were evaluated. The expression levels of filaggrin and locricrin, which are the main factors affecting the proper functioning of skin barrier function, and HA, HAS2, and AQP3, which are skin moisturizing-related proteins measured by quantitative real-time polymerase chain reaction (qRT-PCR) and western blotting. The results showed that the expression levels of the factors that decreased by H2O2 treatment were significantly increased by LA, GL, and a mixture of LA and GL at the mRNA and protein levels (p<0.05). The nanoemulsion containing a mixture of LA and GL was prepared using the emulsion inversion method, and the average particle size was 299.9 ± 0.287 nm. After measuring the TEWL of nanoemulsion using Vapometer, it was found that TEWL significantly decreased by 15.53% and 26.73% after two weeks and four weeks of product use, respectively, compared to TEWL before product use (p<0.001). Similarly, the skin moisture content of the nanoemulsion significantly increased by 15.40% and 26.59% after two weeks and four weeks of product use, respectively, compared to skin moisture content before product use (p<0.001). Therefore, the skin barrier function and moisturizing effect of a mixture of LA and GL are shown by increasing the moisture content and decreasing the TEWL by increasing the expression of filaggrin, loricrin, HA, HAS2, and AQP3. This suggests the possibility for the development of functional cosmetic ingredients in the future.

• Bulletin of the Korean Chemical Society
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• v.30 no.2
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• pp.429-434
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• 2009

The OH($X^2{\Pi},\;{\nu}$"=0, 1) internal state distributions from the reaction of electronically ground state oxygen atoms with HSi$Cl_3$ were measured using laser-induced fluorescence. The ground-state O$(^3P_J)$ atoms with kinetic energies above the reaction barrier were produced by photolysis of N$O_2$ at 355 nm. The OH product revealed strong vibrational population inversion, P(${\nu}$"=1)/P(${\nu}$"=0) = 4.0 ${\pm}$ 0.6, and rotational distributions in both vibrational states exhibit substantial rotational excitations to the limit of total available energy. However, no preferential populations in either of the two $\Lambda$ doublet states were observed from the micropopulations, which supports a mechanism involving a direct abstraction of hydrogen by the atomic oxygen. It was also found that the collision energy between O and HSi$Cl_3$ is effectively coupled into the excitation of the internal degrees of freedom of the OH product ($$ = 0.62, and $<\;f_{rot}>$ = 0.20). The dynamics appear consistent with expectations for the kinematically constrained reaction which supports the reaction type, heavy + light-heavy $\rightarrow$ heavy-light + heavy (H + LH′ $\rightarrow$ HL + H′). The dynamics of oxygen atom collision with HSi$Cl_3$ are discussed in comparison to those with Si$H_4$.