• Journal of the Korean Chemical Society
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• v.26 no.5
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• pp.265-273
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• 1982

The effect of ${\pi}$ bonds on the calculated dipole moments for square planar and tetrahedral [M(II)$O_2S_2$]] type complexes has been investigated by two different approaches. One is the approximate molecular orbital method based on the assumption that the mixing coefficient CM of the valence basis sets for the central metal ion and the appropriate ligand orbitals is equal for all ${\sigma}$ and ${\pi}$ bonding molecular orbitals. The other is the more refined calculation based on the semiempirical LCAO-MO method. If ${\sigma}$ bonds only are assumed to be formed, the calculated dipole moments for square planar and tetrahedral complexes are lower than those of the experimental values. If the contribution of ${\pi}$ bonds to the calculated dipole moments are fully considered, the calculated dipole moments for both square planar and tetrahedral [M(II)$O_2S_2$]] type complexes are higher than the experimental values. However if ${\pi}$ bonds are assumed to be delocalzed, the calculated dipole moments for tetrahedral [M(II$O_2S_2$]] type complexes fall in the range of the experimental values, but those for square planar complexes deviate from the experimental values. These results suggest that [M(II)$O_2S_2$]] type complexes may have the tetrahedral structure in inert solvent solution. This structure is in agreement with the experimental one. The calculated dipole moments for tetrahedral [M(II)$O_2S_2$]] type complexes indicate that the contribution of ${\pi}$ bonds to the calculated dipole moments may not be neglected.

• Journal of the Korea Concrete Institute
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• v.17 no.3 s.87
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• pp.411-418
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• 2005

Polymer-modified mortar and concrete are prepared by mixing either a polymer or monomer in a dispersed, or liquid form with fresh cement mortar and concrete mixtures, and subsequently curing, and if necessary, the monomer contained in the mortar or concrete is polymerized in situ. Although polymers and monomers in any form such as latexes, water-soluble polymers, liquid resins, and monomers are used in cement composites such as mortar and concrete, it is very important that both cement hydration and polymer phase formation proceed well the yield a monolithic matrix phase with a network structure in which the hydrated cement phase and polymer phase interpenetrate. In the polymer-modified mortar and concrete structures, aggregates are bound by such a co-matrix phase, resulting in the superior properties of polymer-modified mortar and concrete compared to conventional mortar and concrete. The purpose of this study is to obtain the necessary basic data to develope appropriate latexes as cement modifiers, and to clarify the effects of the monomer ratios and amount of emulsifier on the properties of the polymer-modified mortars using methyl methacrylate-butyl acrylate(MMA/BA) and methyl methacrylate-ethyl acrylate(MMA/EA) latexes. The results of this study are as follows, the water absorption, chloride ion penetration depth and carbonation depth of MMA/BA-modified mortar are lowest. However, they are greatly affected by the polymer-cement ratio rather than the bound MMA content and type of polymer.

• Bulletin of the Korean Chemical Society
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• v.32 no.12
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• pp.4205-4209
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• 2011

The $Li_2Mn_{0.5}Fe_{0.5}SiO_4$ silicate was prepared by blending of $Li_2MnSiO_4$ and $Li_2FeSiO_4$ precursors with same molar ratio. The one of the silicates of $Li_2FeSiO_4$ is known as high capacitive up to ~330 mAh/g due to 2 mole electron exchange, and the other of $Li_2FeSiO_4$ has identical structure with $Li_2MnSiO_4$ and shows stable cycle with less capacity of ~170 mAh/g. The major drawback of silicate family is low electronic conductivity (3 orders of magnitude lower than $LiFePO_4$). To overcome this disadvantage, carbon composite of the silicate compound was prepared by sucrose mixing with silicate precursors and heat-treated in reducing atmosphere. The crystal structure and physical morphology of $Li_2Mn_{0.5}Fe_{0.5}SiO_4$ was investigated by X-ray diffraction, scanning electron microscopy, and high resolution transmission electron microscopy. The $Li_2Mn_{0.5}Fe_{0.5}SiO_4$/C nanocomposite has a maximum discharge capacity of 200 mAh/g, and 63% of its discharge capacity is retained after the tenth cycles. We have realized that more than 1 mole of electrons are exchanged in $Li_2Mn_{0.5}Fe_{0.5}SiO_4$. We have observed that $Li_2Mn_{0.5}Fe_{0.5}SiO_4$ is unstable structure upon first delithiation with structural collapse. High temperature cell performance result shows high capacity of discharge capacity (244 mAh/g) but it had poor capacity retention (50%) due to the accelerated structural degradation and related reaction.

• Journal of the Korean Electrochemical Society
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• v.6 no.4
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• pp.229-235
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• 2003

A precursor of lithium manganese oxide was synthesized by mixing $(CH_3)_2CHOLi\;with\;Mn(CH_3COO)_2{\cdot}4H_2O$ in ethanol using a sol-gel method, then heat-treated at $400^{\circ}C\;and\;800^{\circ}C$ in air atmosphere. The condition of heat treatment was determined by thermogravimetric analysis/differential thermogravimetric analysis (TGA/DTA). The characterization of the lithium manganese oxide was done by X-ray diffraction (XRD) spectra and scanning electron microscopy (SEM). The electrochemical characteristics of lithium manganese oxide electrode for lithium ion battery were measured by cyclic voltammetry (CV), chronoamperometry and AC impedance method using constant charge/discharge process. The electrochemical behaviors of the electrode have been investigated in a 1.0M $LiClO_4/propylene$ carbonate electrolyte solution. The diffusivity of lithium ions, $D^+\;_{Li}\;^+$, as determined by AC impedance technique was $6.2\times10^{-10}cm^2s^{-1}$.

• Applied Chemistry for Engineering
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• v.4 no.2
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• pp.291-299
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• 1993

Hydrothermal synthesis of 1.13nm tobermorite was performed to obtain the mixing ratio of raw materials, the optimum reaction time and the effect of aluminum in two systems, $CaO-SiO_2-H_2O$ and cement sludge-$SiO_2-H_2O$. 1.13nm tobermorite($5CaO{\cdot}6SiO_2{\cdot}5H_2O:C_5S_6H_5$) was synthesized excellently from $CaO-SiO_2-H_2O$ system on each mole ratio (0.4, 0.8) of $CaO/SiO_2$ at $180^{\circ}C$. But a tobermorite crystals had a sign of crystal conversion after 6 hours of reaction times in the case of $CaO/SiO_2=0.4$ and 4 hours of reaction time in the case of $CaO/SiO_2=0.8$. However, a tobermorite synthesized from cement sludge wastes did not show the crystal conversion on each mole ratio(0.4, 0.8) of $CaO/SiO_2$ within 10 hours of reaction times. It is considered that aluminum ions dissolved from cement sludge wastes retarded the recrystallization of tobermorite. This role of aluminum ion was confirmed in $CaO-SiO_2-H_2O+Al$ powder system. According as added amount of Al powder was increased from 0.8% to 3.0%, the crystal had a highly flatter and larger shape. Recrvstallization was not detected within the same reaction times when aluminum was added.

• Journal of the Korean Chemical Society
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• v.34 no.1
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• pp.37-43
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• 1990

An effect of the spin-orbit coupling interaction of ligand orbitals and the intermixing │3d 〉and│4p > transition metal atomic orbitals on the ground state for a 3$d^9$ system in a strong crystal field of tetragonally distorted tetrahedral symmetry that belongs to the $D_{2d}$ point group has been investigated in this work, applying the degenerate perturbation theory. An LCAO-MO analysis in terms of the known energies of the d-d transitions for the tetragonally distorted $CuCl_4^{2-}$ ion in a single crystal of$Cs_2CuCl_4$shows that the covalent mixing of Cu 3d and ligand Cl 3p orbitals decreases dramatically with increasing Cu 4p contribution. The extent of effect on the energy level splitting for the ground state by the spin-orbit coupling interaction of ligand orbitals decreases significantly in orderTEX>$\Gamma_7(E)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_6(E)\; >\;\Gamma_7(B_2)\;\to\;\Gamma_7(E)$.

• Economic and Environmental Geology
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• v.34 no.2
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• pp.167-173
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• 2001

Through alkaline hydrothermal activation processes, Na-A type zeolite was synthesized as a single phase with funnel-glass waste from a television tube factory. The autoclaving was performed in a closed teflon vessel in the range of 80~95$^{\circ}$C. The silica-rich solution as a starting material was hydrothermally synthesized with quartz in IN NaOH by heating 350uC under the pressure of 1,500 atm. $NaAlO_2$ was made from NaOH and Al(OHh by heating 95$^{\circ}$C for 2-3 hours and the molar ratios of it were $Na_2O/Al_2O_3$ = 1.4 and $H_2O/Na_2O$=8. The equi-dimensional A type zeolite (1-2 11) was formed by the simple mixing of the silica-rich solution, glass waste and $NaAlO_23$ for 1-3 hours-heating at $80^{\circ}C$. The characterization of the reaction product shows Na-A as a single phase. The synthesized zeolite has cuba-dodecahedral form and $Ca^{2+}$ ion exchange capacity of the Na-A was in the range of 215-220 mequiva1entilOO g.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.7 no.6
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• pp.1056-1063
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• 2006

Thermal evaporated 10 nm-Ni/l nm-Ir/(or polycrystalline)p-Si(100) and 10 nm-$Ni_{50}Co_{50}$/(or polycrystalline)p-Si(100) films were thermally annealed using rapid thermal annealing fur 40 sec at $300{\sim}1200^{\circ}C$. The annealed bilayer structure developed into Ni(Ir or Co)Si and resulting changes in sheet resistance, microstructure, phase and composition were investigated using a four-point probe, a scanning electron microscopy, a field ion beam, an X-ray diffractometer and an Auger electron spectroscope. The final thickness of Ir- and Co-inserted nickel silicides on single crystal silicon was approximately 20$\sim$40 nm and maintained its sheet resistance below 20 $\Omega$/sq. after the silicidation annealing at $1000^{\circ}C$. The ones on polysilicon had thickness of 20$\sim$55 nm and remained low resistance up to $850^{\circ}C$. A possible reason fur the improved thermal stability of the silicides formed on single crystal silicon substrate is the role of Ir and Co in preventing $NiSi_2$ transformation. Ir and Co also improved thermal stability of silicides formed on polysilicon substrate, but this enhancement was lessened due to the formation of high resistant phases and also a result of silicon mixing during high temperature diffusion. Ir-inserted nickel silicides showed surface roughness below 3 nm, which is appropriate for nano process. In conclusion, the proposed Ir- and Co- inserted nickel silicides may be superior over the conventional nickel monosilicides due to improved thermal stability.

• Korean Journal of Materials Research
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• v.21 no.11
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• pp.587-591
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• 2011

The effect of the precipitator (NaOH, $NH_4OH$) and the amount of the precipitator (150, 200, 250, 300 ml) on the formation of $Fe_3(PO_4)_2$, which is the precursor used for cathode material $LiFePO_4$ in Li-ion rechargeable batteries was investigated by the co-precipitation method. A pure precursor of olivine $LiFePO_4$ was successfully prepared with coprecipitation from an aqueous solution containing trivalent iron ions. The acid solution was prepared by mixing 150 ml $FeSO_4$(1M) and 100 ml $H_3PO_4$(1M). The concentration of the NaOH and $NH_4OH$ solution was 1 M. The reaction temperature (25$^{\circ}C$) and reaction time (30 min) were fixed. Nitrogen gas (500 ml/min) was flowed during the reaction to prevent oxidation of $Fe^{2+}$. Single phase $Fe_3(PO_4)_2$ was formed when 150, 200, 250 and 300 ml NaOH solutions were added and 150, 200 ml $NH_4OH$ solutions were added. However, $Fe_3(PO_4)_2$ and $NH_4FePO_4$ were formed when 250 and 300 ml $NH_4OH$ was added. The morphology of the $Fe_3(PO_4)_2$ changed according to the pH. Plate-like lenticular shaped $Fe_3(PO_4)_2$ formed in the acidic solution below pH 5 and plate-like rhombus shaped $Fe_3(PO_4)_2$ formed around pH 9. For the $NH_4OH$, the pH value after 30 min reaction was higher with the same amount of additions of NaOH and $NH_4OH$. It is believed that the formation mechanism of $Fe_3(PO_4)_2$ is quite different between NaOH and $NH_4OH$. Further investigation on this mechanism is needed. The prepared samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and the pH value was measured by pH-Meter.

• Korean Chemical Engineering Research
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• v.59 no.1
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• pp.42-48
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• 2021

Zn and Al added LiNi0.85Co0.15O2 cathode materials were synthesized to improve electrochemical properties and thermal stability using a solid-state route. Crystal structure, particle size and surface shape of the synthesized cathode materials was measured using XRD (X-ray diffraction) and SEM (scanning electron microscopy). CV (cyclic voltammetry), first charge-discharge profiles, rate capability, and cycle life were measured using battery cycler (Maccor, series 4000). Strong binding energy of Al-O bond enhanced structure stability of cathode material. Electrochemical properties were improved by preventing cation mixing between Li+ and Ni2+. Large ion radius of Zn+ increased lattice parameter of NC cathode material, which meant unit-cell volume was expanded. NCZA25 showed 80% of capacity retention at 0.5 C-rate during 100 cycles, which was 12% higher than that of NC cathode. The discharge capacity of NCZA25 showed 104 mAh/g at 5 C-rate. NCZA25 achieved 36 mAh/g more capacity than that of NC cathod. NCZA25 cathode material showed excellent rate capability and cycling performance.