• Journal of the Korean Chemical Society
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• v.61 no.6
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• pp.311-319
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• 2017

By using Density Functional Theory (DFT), we have performed alkali metal and alkaline earth metal inside fullerene-like BeO cluster (FLBeOC) in terms of energetic, geometric, charge transfer, work function and electronic properties. It has been found that encapsulated processes of the alkali metal are exothermic and thermodynamically more favorable than alkaline earth metal encapsulation, so that interaction energy ($E_{int}$) of the alkali metal encapsulation FLBeOC is in the range of -0.02 to -1.15 eV at level of theory. It is found that, the electronic properties of the pristine fullerene-like BeO cluster are much more sensitive to the alkali metal encapsulation in comparison to alkaline earth metal encapsulation. The alkali and alkaline earth metal encapsulated fullerene-like BeO cluster systems exhibit good sensitivity, promising electronic properties which may be useful for a wide variety of next-generation nano-sensor device components. The encapsulation of alkali and alkali earth metal may increase the electron emission current from the FLBeOC surface by reducing of the work function.

• Journal of the Korean Applied Science and Technology
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• v.22 no.1
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• pp.50-55
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• 2005

A comparison of alkali metal cation and alkaline earth cation solvent extraction was made for three additional monoionizable crown ethers and one diionizable crown ether. sym-(n-Octyldibenzo)-16-crown-5-oxyacetic acid $\underline{1}$ exhibited high efficiency and selecvity in solvent extraction of alkali metal cations with respect to that observed with alkaline earth cations. Sizes of $Na^+$ and $Ca^{2+}$ appropriately match with the cavity size of monoethyl sym-bis[4(5)-tert-butylbenzo]-16-crown-5-oxymethylphosphonic acid $\underline{3}$. As the result, $Na^+$ and $Ca^{2+}$ are the best extracted. sym-(n-Octyldibenzo)-16-crown-5-oxymethyldiphosphonic acid $\underline{4}$was found to be somewhat selective for $Na^+$ over $Li^+$ and other alkaline earth metal cations. In the complexation of alklaine earth cations by crown ether diphosphonic acid $\underline{4}$, $Ca^{2+}$ and $Sr^{2+}$ are the appropriate sizes, but lager $Ba^{2+}$ may be due to favorable formation of a sandwich type complex between the crown ether cavity and the dianion of the deprotonated crown ether phoaphonic acid moiety.

• Journal of the Korean Chemical Society
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• v.37 no.9
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• pp.820-825
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• 1993

The ion exchange capacity of HDBPDA ion exchanger, {(4,5) : (13,14)-dibenzo-6,9,12-trioxa-3,15,21-triazabicyclo[15.3.l]heneicosa-(1,17,19)(18,20,21) triene ion exchanger: HDBPDA ion exchanger} was 3.8 meq/g. The distribution coefficients of alkali and alkaline earth metal ions in water and the various concentration of hydrochloric acid were determined. Concentration of hydrochloric acid have almost not influenced on the distribution coefficients of alkali and alkaline earth metal ions, but generally, the distribution coefficient was slightly increased with decrease of concentration of hydrochloric acid. The distribution coefficients of metal ions in water are larger than those of various hydrochloric acid concentrations. Also, alkali and alkaline earth metal ions are separated by column ion exchange chromatography using HDBPDA ion exchange with water as eluent. The distribution coefficents of alkali and alkaline earth metal ions were increased with increase of ionic radii of metal ions.

• Analytical Science and Technology
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• v.6 no.3
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• pp.261-265
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• 1993

The ion exchange capacity of DBPDA ion exchanger, {(4,5):(13,14)-dibenzo-6, 9, 12-trioxa-3, 15, 21-triazabicyclo [15.3.1] heneicosa-1(21), 17, 19-triene-2, 16-dione : DBPDA ion exchanger} was 4.2meq/g. The distribution coefficients of alkali and alkaline earth metal ions in the various concentrations of hydrochloric acid were determined using DBPDA ion exchanger. Also alkali and alkaline earth metal ions were separated using DBPDA ion exchanger. From these results the effect of pH of solution and ionic radii of the metal ions on the distribution coefficients of alkali and alkaline earth metal ions were discussed.

• Korean Journal of Materials Research
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• v.33 no.4
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• pp.135-141
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• 2023

The volatilization of alkali ions in (K,Na)NbO₃ (KNN) ceramics was inhibited by doping them with alkaline earth metal ions. In addition, the grain growth behavior changed significantly as the sintering duration (t_s) increased. At 1,100 ℃, the volatilization of alkali ions in KNN ceramics was more suppressed when doped with alkaline earth metal ions with smaller ionic size. A Ca²⁺-doped KNN specimen with the least alkali ion volatilization exhibited a microstructure in which grain growth was completely suppressed, even under long-term sintering for t_s = 30 h. The grain growth in Sr²⁺-doped and Ba²⁺-doped KNN specimens was suppressed until t_s = 10 h. However, at t_s = 30 h, a heterogeneous microstructure with abnormal grains and small-sized matrix grains was observed. The size and number of abnormal grains and size distribution of matrix grains were considerably different between the Sr²⁺-doped and Ba²⁺-doped specimens. This microstructural diversity in KNN ceramics could be explained in terms of the crystal growth driving force required for two-dimensional nucleation, which was directly related to the number of vacancies in the material.

• Journal of the Korean Applied Science and Technology
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• v.22 no.3
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• pp.219-227
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• 2005

Competitive solvent extraction of the mixure of alkali metal and alkaline earth cation from water into organic solvent containing the crown ether carboxylic acid and anlogous crown ether phosphonic acid was investigated as follows. The lipophilic group is found to strongly influence to the selective extraction in the mixed systems from only alkali metal cation for sym-(n-decyldibenzo)-16-crown-5-oxyacetic acid $\underline{1}$ to mostly alkaline earth metal cation for sym-bis[4(5)-tert-butylbenzo]-16-crown-5-oxyacetic acid $\underline{3}$. Monoethyl sym-(n-decyldibenzo)-16-crown-5-oxymethylphosphonic acid $\underline{2}$. and monoethyl-sym- bis]4(5)-tert-butylbenzo]-16-crown-5-oxymethylphosphonic acid $\underline{4}$ showed good selectivity for $Na^+$ over $Mg^{2+}$, the second extracted ion. Structural variation in the crown ether phosphonic acid somewhat was influenced to the extraction selectivity in the mixed systems. when variation of the ionized group is influenced in the mixed systems, the selectivity of $Na^+$ as the second extracted ion was much better crown ether carboxylic acid $\underline{1}$ than crown ether phosphonic acid $\underline{2}$, while the efficiency of $Na^+$ extraction was better $\underline{2}$ (83% total loading) than $\underline{1}$ (32%).

• Proceedings of the Korean Vacuum Society Conference
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• 2013.08a
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• pp.129.2-129.2
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• 2013

Electron injection enhancement at OLED (organic light-emitting diodes) cathode side has mostly been achieved by insertion of a low work function layer between metal electrode and emissive layer. We investigated the interfacial chemical reactions and electronic structures of alkaline-earth metal (Ca, Ba)/Alq3 [tris(8-hydroxyquinolinato)aluminium] and Ca/BaF2/Alq3 using in-situ X-ray & ultraviolet photoelectron spectroscopy. The alkaline-earth metal deposited on Alq3 generates two energetically separated gap states in sequential manner. This phenomenon is explained by step-by-step charge transfer from alkali-earth metal to the lowest unoccupied molecular orbital (LUMO) states of Alq3, forming new occupied states below Fermi level. The BaF2 interlayer initially prevents from direct contact between Alq3 and reactive Ca metal, but it is dissociated into Ba and CaF2. However, as the Ca thickness increases, the Ca penetrates the interlayer to directly participate in the reaction with underlying Alq3. The influence of the multiple gap state formation by the interfacial chemical reaction on the OLED performance will be discussed.

• Analytical Science and Technology
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• v.6 no.5
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• pp.471-477
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• 1993

The novel macrocylic ligand {(4, 5):(13, 14)-dibenzo-6, 9, 12-trioxa-3, 15, 21, -triazabicyclo [15. 3. 1]heneicosa-(1, 17, 19)(18, 20, 21) triene: HDBPDA} was synthesized, and protonable constants of the ligand and the complex stability constants with alkali metals alkaline earth metals were determined. We evaluated the resolution factor(${\Delta}$) from equation that inducing from stability constants(pK). Also, this ligand was grafted on chloromethylated styrene-divinyl benzene(Merrifield resin) for HDBPDA, ion exchanger. Alkali and alkaline earth metal ions were separated using water by the column chromatography with this ion exchanger. Selectivity(${\alpha}$) and resolution(Rs) of alkali and alkaline earth metal ions were measured from the elution curves chromatogram. The selectivity and resolution values of the various ions calculated from the elution curves were compared with those abtained from pK values. The results were in a good agreement between tow methods. Ion exchange capacity of the resin were determined using the alkali and alkaline earth metal ions and pH dependence of capacity was also discussed.

• Bulletin of the Korean Chemical Society
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• v.32 no.11
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• pp.3855-3860
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• 2011

The competitive solvent extractions of alkali and alkaline earth metals by di-ionizable calix[4]arene nano-baskets were studied using nine conformers of calix[4]arene nano-baskets. The objective of this work is to assess the variation of macrocycle conformation, orientation and position of pendant moieties upon the extraction parameters (efficiency, selectivity and $pH_{1/2}$) of the complexes. The results revealed that alternation of ring conformation in calixarene scaffold affects the solvent extraction parameters towards alkali and alkaline earth metals, while changing the orientation of pendant moieties from ortho- to para- as well as cis- to trans-analogues depicted no changes in those extraction parameters.

• Analytical Science and Technology
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• v.6 no.5
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• pp.463-469
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• 1993

HDBPDA ion exchange resin, {(4, 5) : (13, 14)-Dibenzo-6, 9, 12-trioxa-3, 15, 21, -triazabicyclo [15. 3. 1]heneicosa-(1, 17, 19)(18, 20, 21) triene ion exchange resin : HDBPDA ion exchange resin} had a capacity of 3.8meq/g dry resin. The distribution coefficients of alkali and alkaline earth metal ions on HDBPDA and strongly acidic cation exchange resin, Dowex 50W-X8(200-400mesh) in water, and the various concentrations of hydrochloric acid were determined. Concentration of hydrochloric acid have almost not influenced on the distribution coefficients of alkali and alkaline earth metal ions for the HDBPDA ion exchange resin, but generally the distribution coefficient slightly increased with decreasing concentration of hydrochloric acid. The distribution coefficients of metal ions in water are larger than those in various hydrochloric acid concentration. The distribution coefficients of alkali and alkaline earth metal ions for the Dowex 50W-X8 ion exchange resin increased with decreasing hydrochloric acid concentration. Especially, the distribution coefficients of alkaline earth metal ions increased rapidly compared to those for alkali metal ions. The distribution coefficients of alkali and alkaline earth metal ions on HDBPDA ion exchange resin increased in a linear manner with decreasing acid concentration, and the slope, d log Kd/d log $M_{HCl}$ is about -0.2. Of the distribution cofficients of alkali metal ions on Dowex 50W-X8, at range of moderate hydrochloric acid concentration, the slope is about -1, while the slope for alkaline earth metal ions is about -2. However, at very low hydrochloric acid concentration, the linear variation between distribution coefficient and acid concentration was not occurred, but the slope was deviated from above values at low acid concentration.