• Bulletin of the Korean Chemical Society
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• v.30 no.3
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• pp.589-594
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• 2009

We have performed DFT B3LYP/6-31G(d,p) calculations to investigate the complexation behaviors of the ethyl ester derivative of p-tert-butylcalix[6]arene (1) toward a variety of alkylammonium ions. We have studied the binding sites of these host-guest complexes focusing on the p-tert-butylcalix[6]arene pocket (endo) of 1. The smaller alkylammonium cations have the better complexation efficiency than the bulkier alkylammonium ions with the p-tert-butylcalix[6]aryl ester. The hydrogen-bonding of N-H$\ldots$O is one of the important factors for the complexation behavior of the p-tert-butylcalix[6]aryl ester, in addition to the NH-aromatic π, CH-aromatic π and electrostatic interactions, and the steric hindrance of alkylammonium cation. The hydrogen-bonded distances and angles of N-H$\ldots$O are reported for the complexes of the p-tert-butylcalix[6]aryl ester with various alkylammonium ions.

• 한국정보디스플레이학회:학술대회논문집
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• 2002.08a
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• pp.171-174
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• 2002

When boron ions are doped into the poly-Si films, the hydrogen ions doped with boron ions compensate the defect sites and suppress to produce damage density. These samples can be easily activated by hydrogen doping at high acceleration voltage($V_{acc}$).

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.11a
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• pp.368-368
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• 2008

Ion implantation has been widely developed during the past decades to become a standard industrial tool. To comply with the growing needs in ion implantation, innovative technology for the control of ion beam parameters is required. Beam current, beam profile, ion fractions are of great interest when uniformity of the implant is an issue. Especially, it is important to measure the spatial distribution of beam power and also the energy distribution of accelerated ions. This energy distribution is influenced by the proportion of mass for ion in the plasma generator(ion source) and by charge exchange and dissociation within the accelerator structure and also by possible collective effects in the neutralizer which may affect the energy and divergence of ions. Hydrogen atom has been the object of a good study to investigate the energy distribution. Hydrogen ion sources typically produce multi-momentum beams consisting of atomic ion ($H^+$) and molecular ion ($H_2^+$ and $H_3^+$). In the beam injector, the molecular ions pass through a charge-exchanges gas cell and break up into atomic with one-half (from $H_2^+$) or one-third (from $H_3^+$) according to their accelerated energy. Burrell et al. have observed the Doppler shifted lines from incident $H^+$, $H_2^+$, and $H_3^+$ using a Doppler shift spectroscopy. Several authors have measured the proportion of mass for hydrogen ion and deuterium using an ion source equipped with a magnetic dipole filter. We developed an ion implanter with 50-KeV and 20-mA ion source and 100-keV accelerator tube, aiming at commercial uses. In order to measure the proportion of mass for ions, we designed a filter system which can be used to measure the ion fraction in any type of ion source. The hydrogen and helium ion species compositions are used a filter system with the two magnets configurations.

• Bulletin of the Korean Chemical Society
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• v.8 no.2
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• pp.69-72
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• 1987

The structures of dehydrated $Ag_9Cs_3$-A treated with hydrogen gas at three different temperatures have been determined by single-crystal X-ray diffraction techniques. Their structures were solved and refined in the cubic space group Pm3m at 23(1) $^{\circ}C$. All crystals were ion exchanged in flowing streams of aqueous $AgNO_3$/$CsNO_3$ with a mole ratio 1:3.0 to achieve the desired crystal composition. The structures treated with hydrogen at $23^{\circ}C(a=12.288(1)\;{\AA})\;and\;310^{\circ}C(a=12.291(2)\;{\AA})$ refined to the final error indices R1 = 0.091 and R2 = 0.079, and 0.065 and 0.073, respectively, using the 216 and 227 reflections, respectively, for which I >3${\sigma}$(I). In both of these structures, eight $Ag^+$ ions are found nearly at 6-ring centers, and three $Cs^+$ ions lie at the centers of the 8-rings at sites of $D_{4h}$ symmetry. One $Ag^{\circ}atom$, presumably formed from the reduction of a $Ag^+$ ion by an oxide ion of a residual water molecule or of the zeolite framework during the dehydration process, is retained within the zeolite, perhaps in a cluster. In these two structures hydrogen gas could not enter the zeolite to reduce the $Ag^+$ ions because the large $Cs^+$ ions blocked all the 8-windows. However, hydrogen could slowly diffuse into the zeolite and was able to reach and to reduce about half of the $Ag^+$ ions in the structure only at high temperature ($470^{\circ}C$). The silver atoms produced migrated out of the zeolite framework, and the protons generated led to substantial crystal damage.

• Journal of Industrial Technology
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• v.25 no.A
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• pp.141-149
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• 2005

We investigated numerically the evolutions of several chemical species which are important for film growth and particle generation in the pulsed $SiH_4$ plasmas. During the plasma-on, the $SiH_x$ concentration increases with time mainly by the generation reaction from $SiH_4$, but, during the plasma-off, decreases because of the hydrogen adsorption reaction. During the plasma-on, the concentrations of negative ions increase with time by the polymerization reactions of negative ions and those become almost zero in the sheath regions because of the electrostatic repulsion. During the plasma-off, the concentrations of negative ions decrease with time by the neutralization reactions with positive ions and some negative ions can diffuse toward the sheath regions because there is no electric field inside the reactor. The polymerized negative ions of higher mass can be reduced successfully by using the pulsed plasma process.

• Journal of Electrical Engineering and information Science
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• v.2 no.3
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• pp.71-76
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• 1997

A lot of experiments and analyses have been done to determine the aging mechanism of mica-epoxy composite material used for large generator stator windings in order to estimate remaining life of the generator for last decades. After degrading artificially the mica-epoxy composite material, the surface analysis is performed to analyze breakdown mechanism of insulation in air and hydrogen atmosphere; i) In the case of air atmosphere, it is observed that an aging propagation from conductor to core by partial discharge effect and the formation of cracks between layers is widely carbonized surface. ii) In case of hydrogen atmosphere, the partial discharge effect is reduced by the hydrogen pressure (4kg/$\textrm{cm}^2$). Potassium ions forming a sheet of mica is replaced by hydrogen ions, which can lead to microcracks. It is confirmed that the sizes of crack by SEM analysis are 10∼20[$\mu\textrm{m}$] in length under air, and 1∼5[$\mu\textrm{m}$] in diameter, 10∼50[$\mu\textrm{m}$] in length under hydrogen atmosphere respectively. The breakdown mechanism of sttor winding insulation materials which are composed of mica-epoxy is analyzed by the component of materials with EDS, SEM techniques. We concluded that the postassium ions of mica components are replaced by H\ulcorner, H$_3$O\ulcorner at boundary area of mica-epoxy and/or mica-mica. It is proposed that through these phenomena, the conductive layers of potassium enable creation of voids and cracks due to thermal, mechanical, electrical and environmental stresses.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.263-263
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• 2013

This work examines the dynamic properties of ice surfaces in vacuum for the temperature range of 140~180 K, which extends over the onset temperatures for ice sublimation and the phase transition from amorphous to crystallization ice. In particular, the study focuses on the transport processes of excess protons and chloride ions in ice and their segregative behavior to the ice surface. These phenomena were studied by conducting experiments with a relatively thick (~100 BL) ice film constructed with a bottom $H_2O$ layer and an upper $D_2O$ layer, with excess hydronium and chloride ions trapped at the $H_2O$/$D_2O$ interface as they were generated by the ionization of hydrogen chloride. The migration of protons, chloride ions, and water molecules to the ice film surface and their H/D exchange reactions were measured as a function of temperature using the methods of low energy sputtering (LES) and Cs+ reactive ion scattering (RIS). Temperature programmed desorption (TPD) experiments monitored the desorption of water and hydrogen chloride from the surface. Our observations indicated that both hydronium and chloride ions migrated from the interfacial layer to segregate to the surface at high temperature. Hydrogen chloride gas desorbs via recombination reaction of hydronium and chloride ions floating on the surface. Surface segregation of these species is driven by thermodynamic potential gradient present near the ice surface, whereas in the bulk, their transport is facilitated by thermal diffusion process. The finding suggests that chlorine activation reactions of hydrogen chloride for polar stratospheric ice particles occur at the surface of ice within a depth of at most a few molecular layers, rather than in the bulk phase.

• 한국신재생에너지학회:학술대회논문집
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• 2009.06a
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• pp.781-781
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• 2009

We demonstrate that trasition metal catalyst nanoparticle (NP) attached to carbon nitride nanotubes (CNNTs) show selective catalytic activities on hydrogen generation from the water solution including chemical hydride negative ions. The natural bonding orbitals (NBO) obtained from the first-principle calculations shows that the catalysts attached on CNNTs are quite differently polarized when they play for hydrogen generation from chemical hydride ions and hydrogen of water. For Co and Ni nanoparticles attached on CNNTs, their charges are more positively polarized when they interact with $BH_4^-Na^+$ and $H_2O$ while Pt atoms are less positively charged. In this matter, the increased positive charges on catlyst nanoparticles are proven to be more efficient in attracting hydride negative ions, thus improving hydrogen generate rates. Consequently, this result implies that these different charge polarization leads to selective catalytic activities of NPs-CNNTs. In the hydrogen generation experiments, Co-CNNTs shows the highest hydrogen generation rate when the similar amounts of catalyst nanoparticles (Co, Ni, and Pt) are dispersed on the sidewalls of CNNTs.

• Bulletin of the Korean Chemical Society
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• v.17 no.10
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• pp.939-943
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• 1996

Reactions that proceed within mixed acetylene-methanol and ethylene-methanol cluster ions were studied using an electron-impact time-of-flight mass spectrometer. When acetylene and methanol seeded in helium are expanded and ionized by electron impact, the ion abundance ratio, [CH3OH+]/[CH2OH+] shows a propensity to increase as the acetylene/methanol mixing ratio increases, indicating that the initially ionized acetylene ion transfers its charge to adjacent methanol molecules within the clusters. Investigations on the relative cluster ion intensity distributions of [CH3OH2+]/[CH3OH+] and [(CH3OH)2H+]/[CH3OH·CH2OH+] under various experimental conditions suggest that hydrogen-atom abstraction reaction of acetylene molecule with CH3OH ion is responsible for the effective formation of CH2OH ion. In ethylene/methanol clusters, the intensity ratio of [CH3OH2]/[CH3OH] increases linearly as the relative concentration of methanol decreases. The prominent ion intensities of (CH3OH)mH over (CH3OH)m-1CH2OH ions (m=1, 2, and 3) at all mixing ratios are also interpreted as a consequence of hydrogen atom transfer reaction between C2H4 and CH3OH to produce the protonated methanol cluster ions.

• Bulletin of the Korean Chemical Society
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• v.27 no.11
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• pp.1737-1740
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• 2006

The optimized structures and complexation energies of bis(18-crown-6-ether) analogue (2) of Trgers base (1) with a series of primary alkylbisammonium ions have been calculated by DFT B3LYP/6-31G(d,p) method. The calculated complexation efficiency (-142.84 kcal/mol) of 2 for butane-1,4-diylbisammonium guest is better than twice of the value (-61.40 kcal/mol) for butylammonium ion. The multiple hydrogen-bond abilities for the complexes are described as the function of the length of the alkyl substituents of the bisammonium guests with normal-alkyl chain [$-(CH_2)_{n-}$, n = 4-8]. The longer bisammonium guest shows the stronger hydrogen-bonding characterizations (the distance and the quasi-linear angle of the N-H…O) to the host 2 than the shorter bisammonium ions. These calculated results agree with the experimental data of the complexation of 2 with bisammonium salts ([$NH_3(CH_2)_nNH_3$] $Cl_2$).