• Journal of the Korean Chemical Society
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• v.56 no.1
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• pp.34-46
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• 2012

Dopants and defects can be introduced as well as the intercalation of metals into single wall carbon nanotubes (SWCNTs) to modify their electronic and magnetic properties, thus significantly widening their application areas. Through spinpolarized density functional theory (DFT) calculations, we have systemically studied the following: (i) (10,0) and (5,5) SWCNT doped with nitrogen ($CN_xNT$), (ii) (10,0) and (5,5) SWCNT with pyridine-like defects (3NV-$CN_xNT$), and (iii) chemical functionalization of (10,0) and (5,5) 3NV-$CN_xNT$ with 12 different transition metals (TMs) (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Pd, and Pt). Attention was done in searching for the most stable configurations, deformation, calculating the formation energies, and exploring the effects of the doping concentration of nitrogen and pyridine-like nitrogenated defects on the electronic properties of the nanotubes. Also, calculating the corresponding binding energies and effects of chemical functionalization of TMs on the electronic and magnetic properties of the nanotubes has been made. We found out that the electronic properties of SWCNT can be effectively modified in various ways, which are strongly dependent not only on the concentration of the adsorbed nitrogen but also to the configuration of the adsorbed nitrogen impurities, the pyridine-like nitrogenated defects, and the TMs absorbed; due to the strong interaction between the d orbitals of TMs and the p orbitals of N atoms, the binding strengths of TMs with the two 3NV-$CN_xNT$ are significantly enhanced when compared to the pure SWCNTs.

• 한국전기화학회:학술대회논문집
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• 2003.11a
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• pp.141-151
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• 2003

The electrochemical activity of the olivine type $LiMPO_4$ (M=transition metals) cathodes strongly depends on various factors, e.g., the transition metal element M, perturbative doping of the supervalent cations into Li site, composite formation with conductive additives, state of charge/discharge, and particle size and its geometries, etc. This is, therefore, an important issue of interdisciplinary between electrochemistry and solid state science towards practical applications. In order to shed light on this interesting but complicated issue with the transport properties and crystallographic aspects, systematic discussion will be made with the review of our recent publications; (1) first principle derivation of the electronic structures, (2) crystallographic mapping of the selected solid solutions, (3) quantitative elucidation of the electron-lattice interaction, (4) spectroscopic detection of the local environment with Mossbauer and EXAFS, (5) synthetic optimization of the electrode composite, and (6) electrochemical evaluation of the reaction kinetics, particularly on M = Fe, Mn.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1999.05a
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• pp.91-95
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• 1999

PED용 형광체로 사용되는 ZnCa$_2$O$_4$를 Clycine Nitrate Process로 합성하여 고상 반응법으로 합성한 ZnCa$_2$O$_4$ 분말과 비교 분석하였다. 또한 Glycine Nitrate Process로 제조시 Mn의 doping 농도를 변화시키면서 각각의 조성비에 따른 발광특성을 알아보았다. TGA 측정 결과 GNP법으로 합성된 ZnCa$_2$O$_4$ 의 경우 약 40$0^{\circ}C$ 이상에서 무게감량의 변화가 없었으며, XRD 상분석 결과 연소반응 후 이미 상형성이 이루어짐을 알 수 있었다. PL측정을 결과 GNP(GIycine Nitrate Process)로 제조된 ZnCa$_2$O$_4$분말의 발광효율이 고상 반응법으로 제조된 분말보다 우수하였으며, 균일하고 비표면적이 큰 단일상임이 관찰되었고, 더 작은 에너지와 시간으로 제조할 수 있는 장점이 있었다

• Journal of the Korean Chemical Society
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• v.53 no.1
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• pp.42-50
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• 2009

The dielectric-spectroscopic and ac conductivity studies firstly carried out on layered manganese doped Sodium Lithium Trititanates ($Na_{1.9}Li_{0.1}Ti_3O_7$). The dependence of loss tangent (Tan$\delta$), relative permittivity ($\varepsilon_r$) and ac conductivity ($\sigma_{ac}$) in temperature range 373-723K and frequency range 100Hz-1MHz studied on doped derivatives. Various conduction mechanisms are involved during temperature range of study like electronic hopping conduction in lowest temperature region, for MSLT-1 and MSLT-2. The hindered interlayer ionic conduction exists with electronic hopping conduction for MSLT-3. The associated interlayer ionic conduction exists in mid temperature region for all doped derivatives. In highest temperature region modified interlayer ionic conduction along with the polaronic conduction, exist for MSLT-1, MSLT-2, and only modified interlayer ionic conduction for MSLT-3. The loss tangent (Tan$\delta$) in manganese-doped derivatives of layered $Na_{1.9}Li_{0.1}Ti_3O_7$ ceramic may be due to contribution of electric conduction, dipole orientation, and space charge polarization. The corresponding increase in the values of relative permittivity may be due to increase in number of dipoles in the interlayer space while the corresponding decrease in the values of relative permittivity may be due to the increase in the leakage current due to the higher doping.

• The Korean Journal of Food And Nutrition
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• v.21 no.1
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• pp.35-42
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• 2008

To develop physiological functionality of Omija extracted with water was evaluated on antioxidative activity. Omija, high acid material with pH 3.6, contain $57.5{\pm}1.03%$ of moisture, and $18.8{\pm}0.12%$ of crude fat. This material have $12.6{\pm}0.04%$ of carbohydrate and $11.1{\pm}0.07%$ of crude protein as well, but ash and crude protein contents were found less than 10%. 10 mineral contents were also found, too; K and Ca showed the highest level, then Al, Mg, Na and Mn were followed. In composition amino acid contents, glutamic acid took the largest portion, $131.7{\pm}1.3$ mg/100 g, aspartic acid $51.5{\pm}0.6%$, and other composition amino acid under 50%. In case of free sugar contents, 7 types were found. Most of them were glucose and fructose. Total phenolic compounds showed the highest level, $2,862.6{\pm}31.7$ mg/100 g. $197.8{\pm}14.6$ mg/100 g of flavonoid and $225.6{\pm}18.2$ mg/100 g were included. In terms of electron donating ability, radical scavenging ability activated as the amount of Omija extract increased. In particular, Omija extract in 1,000 ${\mu}g/m{\ell}$ demonstrated almost similar electron donating ability, $72.4{\pm}0.21%$, to BHT. It was also found that antioxidant activities of electron donating ability, SOD-like ability, hydroxyl radical scavenging ability and nitrite scavenging ability were highly promoted as Omija extract concentration increased. The nitrite scavenging ability was significant when the extract belonged to strong acid region and doping concentrations increased.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.23 no.3
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• pp.216-221
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• 2010

Employing statistical design of experiments, the difference in doping behaviors of rare-earth ions and their effects on the dielectric property and microstructure of $BaTiO_3$-MgO-$MnO_2$-($Ba_{0.4}Ca_{0.6}$) $SiO_3-Re_2O_3$ (Re = $Y_2O_3$, $Er_2O_3$) system were investigated. Through the statistical analysis we have found that the amount of $Re_2O_3$ are significantly affecting on the dielectric properties. The $Re_2O_3$ improved the dielectric constant, dielectric loss and R*C constant, so the appropriate contents of $Y_2O_3$ and $Er_2O_3$ were 0.8 ~ 1.2 mol% and 0.8 ~ 1.3 mol%, respectively. The MLCC(mutilayer chip capacitor) with $2.0{\times}1.2{\times}1.2mm$ size and 475 nF was also suited for X7R with the above composition. It showed that the dielectric constant and RC constant were 2,839 and 3,675 ${\Omega}F$, respectively in the sintering condition at $1250^{\circ}C$ in $Po_2$ $10^{-7}$ Mpa.

• Bulletin of the Korean Chemical Society
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• v.28 no.11
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• pp.1945-1950
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• 2007

Two fluorene-based conjugated copolymers containing hexyl-thiophene derivatives, PF-1T and PF-4T, were synthesized via the palladium-catalyzed Suzuki coupling reaction. The number-average molecular weights (Mn) of PF-1T and PF-4T were found to be 19,100 and 13,200, respectively. These polymers were soluble in common organic solvents such as chloroform, chlorobenzene, toluene, etc. The UV-vis absorption maximum peaks of PF-1T and PF-4T in the film state were found to be 410 nm and 431 nm, respectively. Electrochemical characterization revealed that these polymers have low highest occupied molecular orbital (HOMO) levels, indicating good resistance against oxidative doping. Thin film transistor devices were fabricated using the top contact geometry. PF-1T showed much better thin-film transistor performance than PF-4T. A thin film of PF- 1T gave a saturation mobility of 0.001-0.003 cm2 V?1 s?1, an on/off ratio of 1.0 × 105, and a small threshold voltage of ?8.3 V. To support TFT performance, we carried out DSC, AFM, and XRD measurements.

• Journal of the Korean Electrochemical Society
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• v.1 no.1
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• pp.1-7
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• 1998

For the purpose of finding new cathode materials for medium-temperature $(700\~800^{\circ}C)$ solid oxide fuel cells, $Gd_{0.8}Ca_{0.2}Co_{1-x}Fe_xO_3,\;(x=0.0\~0.5)$ are prepared, and their thermal stability and conductivity characteristics are investigated. Also, the cathodic activities are measured after the cathode layer being attached on CGO (cerium-gadolinium oxide) electrolyte disk. The X-ray analyses indicate that the materials prepared by calcining the citrate-gels at $800^{\circ}C$ have the orthorhombic perovskite structure without discernible impurities. The thermal stability of the undoped Co perovskite is so poor that it is decomposed to the individual binary oxide even at $1300^{\circ}C$. But the partially Fe-doped cobaltates exhibit a better thermal stability to retain their structural integrity up to $1400^{\circ}C$. The observation whereby both the undoped and Fe-doped cobaltates melt at ca. $1300^{\circ}C$ leads us to perform the electrode adhesion at <$1300^{\circ}C$. The cathodic activity of $Gd_{0.8}Ca_{0.2}Co_{1-x}Fe_xO_3,\;(x=0.0\~0.5)$, electrodes is superior to $La_{0.9}Sr_{0.1}MnO_3$, among the samples of $x=0.0\~0.5$, the x=0.2 cathode shows the best activity for the oxygen reduction reaction. It is likely that the Fe-doping provides a better thermal stability to the materials but in turn imparts an inferior cathodic activity, such that the optimum trade-off is made at x=0.2 between the two factors. The total electrical conductivity and ion conductivity of $Gd_{0.8}Ca_{0.2}Co_{1-x}Fe_xO_3$, are measured to be 51 S/cm and $6.0\times10^{-4}S/cm\;at\;800^{\circ}C$, respectively. The conductivity values illustrate that the materials are a mixed conductor and the reaction sites can be expanded to the overall electrode surface, thereby providing a better cathodic activity than $La_{0.9}Sr_{0.1}MnO_3$.