• Transactions on Electrical and Electronic Materials
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• v.11 no.1
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• pp.1-10
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• 2010

This is an overview paper reporting our most recent work on processing and microstructure of nano-structured oxides and their photoluminescence and photo-catalysis properties. Zinc oxide and related transition metal oxides such as vanadium pentoxide and titanium dioxide were produced by a combination of magnetron sputtering, hydrothermal growth and atmosphere controlled heat treatment. Special morphology and microstructure were created including nanorods arrays, core-brushes, nano-lollipops and multilayers with very large surface area. These structures showed special properties such as much enhanced photoluminescence and chemical reactivity. The photo-catalytic properties have also been promoted significantly. It is believed that two factors contributed to the high reactivity: the large surface area and the interaction between different oxides. The transition metal oxides with different band gaps have much enhanced photoluminescence under laser stimulation. Use of these complex oxide structures as electrodes can also improve the energy conversion efficiency of solar cells. The mixed oxide complex may provide a promising way to high-efficiency photo emitting materials and photo-catalysts.

• Korean Journal of Materials Research
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• v.15 no.9
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• pp.566-576
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• 2005

This paper describes an ab Initio study on interface energies, misfit strain energies, and electron structures at coherent interfaces Fe(bcc structure)/MCs(NaCl structure M=Ti, Zr, Hf). The interface energies at relaxed interfaces Fe/TiC, Fe/ZrC and Fe/HfC were 0.263, 0.153 and $0.271 J/m^2$, respectively. It was understood that the dependence of interface energy on the type of carbide was closely related to changes of the binding energies between Fe, M and C atoms before and after formation of the interfaces Fe/MCs with the help of the DLP/NNBB (Discrete Lattice Plane/ Nearest Neighbour Broken Bond) model and data of the electron structures. The misfit strain energies in Fe/TiC, Fe/ZrC and Fe/HfC systems were 0.390, 1.692 and 1.408 eV per 16 atoms(Fe: 8 atoms and MC; 8 atoms). More misfit energy was generated as difference of lattice parameters between the bulk Fe and the bulk MCs increased.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2004.11a
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• pp.210-213
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• 2004

The phase transition between amorphous and crystalline states in chalcogenide semiconductor films can controlled by electric pulses or pulsed laser beam; hence some chalcogenide semiconductor films can be applied to electrically write/erase nonvolatile memory devices, where the low conductive amorphous state and the high conductive crystalline state are assigned to binary states. Memory switching in chalcogenides is mostly a thermal process, which involves phase transformation from amorphous to crystalline state. The nonvolatile memory cells are composed of a simple sandwich (metal/chalcogenide/metal). It was formed that the threshold voltage depends on thickness, electrode distance, annealing time and temperature, respectively.

• Applied Science and Convergence Technology
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• v.27 no.5
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• pp.90-94
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• 2018

The electron band structure of manganese-adsorbed graphene on an SiC(0001) substrate has been studied using angle-resolved photoemission spectroscopy. Upon introducing manganese atoms, the conduction band of graphene, that is observed in pristine graphene indicating intrinsic electron-doping by the substrate, completely disappears and the valence band maximum is observed at 0.4 eV below Fermi energy. At the same time, the slope of the valence band decreases by the presence of manganese atoms, approaching the electron band structure calculated using the local density approximation method. The former provides experimental evidence of the formation of nearly free-standing graphene on an SiC substrate, concomitant with a metal-to-insulator transition. The latter suggests that its electronic correlations are efficiently screened, suggesting that the dielectric property of the substrate is modified by manganese atoms and indicating that electronic correlations in grpahene can also be tuned by foreign atoms. These results pave the way for promising device application using graphene that is semiconducting and charge neutral.

• Bulletin of the Korean Chemical Society
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• v.16 no.7
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• pp.600-603
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• 1995

A series of samples in the Sm1-xSrxCoO3-y(x=0.00, 0.25, 0.50, 0.75 and 1.00) system has been prepared at 1200 ℃ under ambient atmosphere. The X-ray diffraction patterns of the samples with x=0.00 and 0.25 are indexed with orthorhombic symmetry like GdFeO3 and x=0.50 appears to be perfectly cubic. In the tetragonal system (x=0.75), the structure is similar to that of SrCoO2.80. The composition of x=1.00, SrCoO2.52, shows the brownmillerite-type structure. The reduced lattice volume is increased with x value in this system. The chemical analysis shows the τ value (the amount of the Co4+ ions in the system) is maximized at the composition of x=0.50. Nonstoichiometric chemical formulas are determined by the x, τ and y values. The electrical conductivity has been measured in the temperature range of 78 to 1000 K. The activation energy is minimum for those of x=0.25 and x=0.50 with metallic behavior. First-order semiconductor-to-metal transition of SmCoO3 is not observed. Instead, a broad, high-order semiconductor-to-metal transition is observed. In general, the effective magnetic moment is increased with increasing τ values at low temperature. At high temperature, the magnetic moment is maximum for that of x=0.00. The 3d-electrons are collective and give ferromagnetism in x=0.50.

• Composites Research
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• v.32 no.5
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• pp.296-300
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• 2019

Two dimensional transition metal carbides and/or nitrides, known as MXenes, are a promising electrode material in energy storage due to their excellent electrical conductivity, outstanding electrochemical performance, and abundant functional groups on the surface. Use of $Ti_3C_2$ as electrode material has significantly enhanced electrochemical performance by providing more chemically active interfaces, short ion-diffusion lengths, and improved charge transport kinetics. Here, we reports the efficient method to synthesize $Ti_3C_2$ from MAX phase, and opens new avenues for developing MXene based electrode materials for Lithium-Ion batteries.

• Bulletin of the Korean Chemical Society
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• v.7 no.4
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• pp.262-266
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• 1986

A multi-reference many-body perturbation theory (MRMBPT) method is critically tested in second order by comparing with the corresponding configuration interaction (CI) calculations. Excitation energies of the four-valence-electron states of transition metal atoms and ions are used for the comparison. The agreement between the second order MRMBPT and CI calculations is very reasonable, confirming the reliability of the second order MRMBPT method. The reliability of calculations with the present second order MRMBPT method was only been inferred empirically in the past since most results have been gauged by the agreement with experiment and/or with other MRMBPT calculations based upon different sets of orbitals and configuration spaces. The present MRMBPT method appears to be an efficient ab initio multi-reference method for the calculation of electron correlation effects in atoms and molecules, and it is shown how MRMBPT can be used to estimate core-core and core-valence correlation effects which are often omitted in CI calculations because too many configurations and correlating electrons are involved.

• Bulletin of the Korean Chemical Society
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• v.9 no.5
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• pp.292-295
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• 1988

Macrocyclic ligands have been studies as cation carriers in a bulk liquid membrane system. $Cu^{2+}$ has been transported using nitrogen substituted macrocycles as carriers and several transition metal ions($M^{n+}\;=\;Mn^{2+},\;Co^{2+},\;Ni^{2+},\;Cd^{2+},\;Pb^{2+}\;and\;Ag^{+}$) have been transported using $DBN_3O_2,\;DBN_2O_2,\;Me_6N_414C4$ and DA18C6 as carriers in a bulk liquid membrane system. Competitive $Cu^{2+}-M2^+$ transport studies have also been carried out for the same system. In single cation transport experiments, the best macrocyclic ligand for transport is a ligand that gives a moderately stable rather than very stable complex in the extraction. However, when both cations are present in the source phase, the cation which forms the most stable complex with carrier is favored in transport over other cations. Generally, the nitrogen substiituted macrocycles transport $Cu^{2+}$ selectively over $Mn^+$. Ligand structure, equilibrium constant (or stability constant) for complex formation, source phase pH and carrier concentration are also important parameters in transport experiments.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.31 no.3
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• pp.143-148
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• 2021

Alkaline oxygen evolution reaction (OER) electrocatalysts have been widely studied for improving the efficiency and green hydrogen production through electrochemical water splitting. Transition metal-based electrocatalysts have emerged as promising materials that can significantly reduce the hydrogen production costs. Among the available electrocatalysts, transition metal-based layered double hydroxides (LDHs) have demonstrated outstanding OER performance owing to the abundant active sites and favorable adsorption-desorption energies for OER intermediates. Currently, cobalt doped nickel LDHs (NiCo LDHs) are regarded as the benchmark electrocatalyst for alkaline OER, primarily owing to the physicochemical synergetic effects between Ni and Co. We report effects of heat-treatment of the as-grown NiCo LDH on electrocatalytic activities in a temperature range from 250 to 400℃. Electrocatalytic OER properties were analysed by linear sweep voltammetry (LSV) and electrochemical impedance spectroscopy (EIS). The heat-treatment temperature was found to play a crucial role in catalytic activity. The optimum heat-treatment temperature was discussed with respect to their OER performance.

• Corrosion Science and Technology
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• v.21 no.4
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• pp.250-257
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• 2022

Transition metal sulfide materials have emerged as a new anode material for Li secondary batteries owing to their high capacity and rate capability facilitated by fast Li-ion transport through the layered structure. Among these materials, niobium disulfide (NbS₂) has attracted much attention with its high electrical conductivity and high theoretical capacity (683 mAh g^-1). In this study, we propose a facile synthesis of Fe_xNbS₂/C composite via simple ball milling and heat treatment. The starting materials of FeS and Nb were reacted in the first milling step and transformed into an Fe-Nb-S composite. In the second milling step, activated carbon was incorporated and the sulfide was crystallized into Fe_xNbS₂ by heat treatment. The prepared materials were characterized by X-ray diffraction, electron spectroscopies, and X-ray photoelectron spectroscopy. The electrochemical test results reveal that the synthesized Fe_xNbS₂/C composite electrode demonstrates a high reversible capacity of more than 600 mAh g^-1, stable cycling stability, and excellent rate performance for Li-ion battery anodes.