• 대한전기학회:학술대회논문집
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• 대한전기학회 2007년도 제38회 하계학술대회
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• pp.1560-1561
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• 2007

Electrodeless fluorescent lamp exhibit two modes of operation : a low density mode in which the power is capacitively coupled to the plasma and which is known as the E-mode, and a higher density mode which is an inductive discharge known as the H-mode. The transition between these two(E to H) mode exhibits hysteresis. It is observed that transition currents change at different frequencies and hysteresis exists not only between the starting and minimum maintaining currents of the electromagnetic mode (H mode) discharge but also between the starting and minimum maintaining currents of the electrostatic mode (E mode) discharge. Hysteresis effect can be important role in dimming system.

• Current Applied Physics
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• 제18권11호
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• pp.1393-1398
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• 2018

We have investigated Bernal-stacked tetralayer graphene as a function of interlayer distance and perpendicular electric field by using density functional theory calculations. The low-energy band structure was found to be very sensitive to the interlayer distance, undergoing a metal-insulator transition. It can be attributed to the nearest-layer coupling that is more sensitive to the interlayer distance than are the next-nearest-layer couplings. Under a perpendicular electric field above a critical field, six electric-field-induced Dirac cones with mass gaps predicted in tight-binding models were confirmed, however, our density functional theory calculations demonstrate a phase transition to a quantum valley Hall insulator, contrasting to the tight-binding model prediction of an ordinary insulator.

• 센서학회지
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• 제30권2호
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• pp.71-75
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• 2021

Recently, transition-metal-based hydroxide materials have attracted significant attention in various electrochemical applications owing to their low cost, high stability, and versatility in composition and morphology. Among these applications, transition-metal-based hydroxides have exhibited significant potential in supercapacitors owing to their multiple redox states that can considerably enhance the supercapacitance performance. In this study, nanostructured Ni-Mn double hydroxide is directly grown on a conductive substrate using an electrodeposition method. Ni-Mn double hydroxide exhibits excellent electrochemical charge-storage properties in a 1 M KOH electrolyte, such as a specific capacitance of 1364 Fg-1 at a current density of 1 mAcm-2 and a capacitance retention of 94% over 3000 charge-discharge cycles at a current density of 10 mAcm-2. The present work demonstrates a scalable, time-saving, and cost-effective approach for the preparation of Ni-Mn double hydroxide with potential application in high-charge-storage kinetics, which can also be extended for other transition-metal-based double hydroxides.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2008년 영문 학술대회
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• pp.320-329
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• 2008

The influence of thermodynamic transition associated with transcritical nitrogen injection upon the flow structure was investigated to explore numerical simulation of the injectant dynamics of oxygen/hydrogen coaxial jet in liquid rocket engines. Single and coaxial nitrogen jets were treated by comparing the transcritical and perfect-gaseous conditions, wherein the numerical model was accommodative to the real-fluid thermodynamics and transport properties at supercritical pressures. The model was in the first place validated by comparing the results of transcritical nitrogen injection between calculations and available experiments. For a single jet under the transcritical condition, the nitrogen kept a relatively high density up to its pseudo-critical temperature inside the mixing layer, since it remains less expanding until heated up to its pseudo-critical temperature. Numerical analysis revealed that cryogenic jets exhibit strong dependence of specific enthalpy profile upon the associated density profile that are both dominated by turbulent thermal diffusion. In the numerical model, therefore, exact evaluation of turbulent heat fluxes becomes very important for simulating turbulent cryogenic jets under supercritical pressures. Concerning the coaxial jets due to transcritical/gaseous nitrogen injections, the density profile inside the mixing layer was again affected by the thermodynamic transition of nitrogen. However, hydrodynamic instability modes of the inner jet did not show significant differences by this thermodynamic transition, so that further study is needed for the mixing process downstream of the near injection position.

• Journal of Magnetics
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• 제13권1호
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• pp.7-10
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• 2008

The structural and magnetic properties of functionalized carbon chains doped with 4d transition metals, such as Ru, Rh, and Pd, were investigated using the full-potential linearized augmented plane wave (FLAPW) method. The carbon nanowire doped with Ru exhibited a ferromagnetic ground state with a sizable magnetic moment, while those doped with Rh and Pd had nonmagnetic ground states. For the Ru-doped chain, the density of states at the Fermi level showed large spin polarization, which suggests that the doped nanowire could be used for spintronic applications.

• 대한화학회지
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• 제57권2호
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• pp.216-220
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• 2013

The hydroalumination of cyclopropane has been investigated using the B3LYP density functional method employing several split-valence basis sets. It is shown that the reaction proceeds via an intermediate weakly bound complex and a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported.

• Bulletin of the Korean Chemical Society
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• 제34권2호
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• pp.453-459
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• 2013

In phtosynthetic light harvesting complexes, the electronic transition energies of chlorophylls are influenced by the Coulombic interaction with nearby molecules. Variation of the interactions caused by structural inhomogeneity in biological environment results in a distribution of disordered electronic transition energies of chlorophylls. In order to provide a practical guide to predict qualitative tendency of such distribution, we model four porphyrin derivatives including chlorophyll a molecule interacting with an external positive charge and calculate their transition energies using the time dependent density functional method. It is found that ${\pi}-{\pi}^*$ transition energies of the molecules are generally blue-shifted by the charge because this stabilizes occupied molecular orbitals to a greater extent than unoccupied ones. Furthermore, new transitions in the visible region emerge as a result of the red-shift in energy of an unoccupied Mg orbital and it is suggested that light-induced electron transfer may occur from the tetrapyrrole ring to the central magnesium when the molecules are interacting with a positive charge.

• 대한화학회지
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• 제56권1호
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• pp.14-19
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• 2012

We investigate the doublet and quartet potential energy surfaces associated with the gas-phase reaction between $Ti^+$ and $CF_3COCH_3$ for two plausible reaction pathways, $TiF_2^+$ and $TiO^+$ formation pathways by using the density functional theory (DFT) method. The molecular structures of intermediates and transition states involved in these reaction pathways are optimized at the DFT level by using the PBE0 functional. All transition states are identified by using the intrinsic reaction coordinate (IRC) method, and the resulting reaction coordinates describe how $Ti^+$ activates $CF_3COCH_3$ and produces $TiF_2^+$ and $TiO^+$ as products. On the basis of presented results, we propose the most favorable reaction pathway in the reaction between $Ti^+$ and $CF_3COCH_3$.

• 대한화학회지
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• 제59권5호
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• pp.429-433
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• 2015

The binding ability and hydrogen storage capacity of nitrogen doped carbon nanotube with divacancy (4NDCN_xNT) that is decorated with transition metals was investigated based on density functional theory calculations. Results indicate that scandium shows an ideal reversible hydrogen binding capability with promising system-weight efficiency compared with other transition metals when functionalized with 4ND-CN_xNT. The (Sc/4ND)₁₀-CN_xNT can store up to 50H₂ molecules, corresponding to a maximum gravimetric density of 5.8 wt%. Detailed structural stability and electronic properties were reported as hydrogen molecules were absorbed. It takes about 0.16 eV/H₂ to add one H₂ molecule, which assures reversible storage of H₂ molecules under ambient conditions.

• 한국세라믹학회지
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• 제55권4호
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• pp.307-324
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• 2018

Rechargeable lithium-ion batteries (LIBs) have been rapidly expanding from IT based applications to uses in electric vehicles (EVs), smart grids, and energy storage systems (ESSs), all of which require low cost, high energy density and high power density. The increasing demand for LIBs has resulted in increasing price of the lithium source, which is a major obstacle to wider application. To date, the possible depletion of lithium resources has become relevant, giving rise to the interest in Na-ion batteries (NIBs) as promising alternatives to LIBs. A lot of transition metal compounds based on conversion-alloying reaction have been extensively investigated to meet the requirement for the anodes with high energy density and long life-time. In-depth understanding the electrochemical reaction mechanisms for the transition metal compounds makes it promising negative anode for NIBs and provides feasible strategy for low cost and large-scale energy storage system in the near future.