• Advances in nano research
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• v.1 no.1
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• pp.29-34
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• 2013

The conversion of mechanical energy into electrical energy at nanoscale using piezoelectric nanowire arrays has been in detail shown by deflection of nanowires. Recently it has performed an analytical model, both at classical and at quantum level, for describing the most important quantities concerning transport phenomena; the model predicts interesting peculiarities, as high initial charge diffusion in nanodevices constituting by nanowires and permits also in particular to deduce interesting informations about the devices sensitivity, focusing on the correlation between sensitivity and high initial diffusivity of these materials at nanometric level.

• Bulletin of the Korean Chemical Society
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• v.35 no.7
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• pp.1929-1930
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• 2014

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.457-458
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• 2014

In this paper, quantum mechanical simulations of the double-gate ultra-thin body (DG-UTB) MOSFETs are performed according to the International Technology Roadmap of Semiconductors (ITRS) specifications planned for 2020, to devise the way for on-current ($I_{on}$) improvement. We have employed non-equilibrium Green's function (NEGF) approach and solved the self-consistent equations based on the parabolic effective mass theory [1]. Our study shows that the [100]/<001> Ge and GaSb channel devices have higher $I_{on}$ than Si channel devices under the body thickness ($T_{bd}$) <5nm condition.

• Bulletin of the Korean Chemical Society
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• v.35 no.10
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• pp.3111-3114
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• 2014

• Vacuum Magazine
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• v.3 no.3
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• pp.4-9
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• 2016

Nanowires have excellent properties such as high crystallinity, good mechanical properties, quantum confinement effect and high chemical activity, and thus are promising building blocks for many applications. Here we firstly review the fabrication of nanowires by top-down and bottom-up process. We then review nanowires as building blocks for bio applications including bio sensing, cell signaling and cell stimulating. It shows that nanowires are promising for the development of advanced bio technologies that can address ultrahigh sensitivity, and long term cell signaling and stimulating without cell damages.

• Bulletin of the Korean Chemical Society
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• v.3 no.3
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• pp.92-98
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• 1982

Solvolysis reactions of some substituted benzoyl chlorides were studied in ethanol-water, ethanol-trifluoroethanol and methanol-acetonitrile mixtures. Results showed that the reaction proceeds via an $S_N2$ process in which bond formation is more advanced than bond cleavage. Comparison of the two models for predicting transition state variation indicated superior nature of the quantum mechanical model relative to the potential energy surface model.

• Bulletin of the Korean Chemical Society
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• v.14 no.4
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• pp.476-480
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• 1993

The ab initio calculations were performed on ClO and $ClO^+$ using the configuration interaction and M${\phi}$ller-Plesset methods of several different levels of approximation. Three different basis sets, 66 contracted Gaussian-type orbitals,6-31$G^*$ and 6-311$G^*$, were employed in this calculation. The results of calculation were compared with the experimental values of ClO. The values from the calculation with 66cGTO basis set gave excellent agreement with the experimental values. The spectroscopic constants of $ClO^+$ were also predicted.

• Bulletin of the Korean Chemical Society
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• v.12 no.6
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• pp.674-678
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• 1991

Methanolysis of a ${\beta}$-lactam ring of a cephalosporin was simulated with AM1 semiempirical quantum mechanical calculation. The tetrahedral intermediate TD1 from an O-protonated cephalosporin and a methanol transfers the proton intramolecularly to the C-4 carboxylate to generate an oxyanion, i.e., second tetrahedral intermediate TD2, which undergoes the amide bond cleavage without further protonation on the N-5. For this cleavage a low-energy barrier TS2 was located. According to the energy diagram, tetrahedral intermediates easily undergo ring cleavage even without the protonation on the amide nitrogen.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.36 no.3
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• pp.286-291
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• 2023

Perovskite materials are promising candidates for next-generation optoelectronic devices owing to their outstanding external quantum efficiency, high color purity, and ability to tune the light emission wavelength. However, conventional thermal annealing processes caused the degradation of perovskite, resulting in poor optoelectronic properties and a short lifetime. Herein, we propose a laser-induced recrystallization of perovskite thin film to enhance its light-emitting properties. Laser-induced recrystallization process was performed using rapid and instantaneous laser heating, which successfully induced grain growth of the perovskite material. The laser processing conditions were thoroughly optimized based on theoretical calculations and various material analyses such as x-ray diffraction, scanning electron microscope, and photoluminescence spectroscopy.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.39 no.4
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• pp.405-413
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• 2015

In the US, the number of cases of subterranean water contamination from tritium leaking through a damaged buried nuclear power plant pipe continues to increase, and the degradation of the buried metal piping is emerging as a major issue. A pipe blocked from corrosion and/or degradation can lead to loss of cooling capacity in safety-related piping resulting in critical issues related to the safety and integrity of nuclear power plant operation. The ASME Boiler and Pressure Vessel Codes Committee (BPVC) has recently approved Code Case N-755 that describes the requirements for the use of polyethylene (PE) pipe for the construction of Section III, Division 1 Class 3 buried piping systems for service water applications in nuclear power plants. This paper contains tensile and slow crack growth (SCG) test results for high-density polyethylene (HDPE) pipe welds under the environmental conditions of a nuclear power plant. Based on these tests, the fracture surface of the PENT specimen was analyzed, and the fracture mechanisms of each fracture area were determined. Finally, by using 3D finite element analysis, limit loads of HDPE related to premature failure were verified.