• Korean Journal of Metals and Materials
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• v.46 no.9
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• pp.604-608
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• 2008

The layered compounds vanadium disulfide($VS_2$) and vanadium dioxide($VO_2$) intercalated with Li are investigated for using the Discrete Variational $(DV)-X{\alpha}$ molecular orbital method. The chemical bonding properties of the atoms were examined by bond overlap population of electronic states. The plot of density of states supports the covalent bonding properties by showing the overlap between the atoms. There is a strong tendency of covalent bonding between V-S and V-O. The intensity of covalent bonding of $VS_2$ is stronger than $VO_2$. The net charge of $LiVO_2$ is higher than that of $LiVS_2$. This results of the calculation of $VO_2$ and $VS_2$ indicate that $(DV)-X{\alpha}$ method can be widely applied in the new practical materials.

• The Sea:JOURNAL OF THE KOREAN SOCIETY OF OCEANOGRAPHY
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• v.2 no.2
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• pp.53-68
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• 1997

Lake Shihwa, artificially constructed since 1988, shows a typical two-layered system depending on strong haline density stratification. Sill of the water gate at 6 m depth greatly restricts physical mixing with outer seawater and circulation in the lake, and contributes to the enhancement of anoxic environment in the deeper layer. With this enclosed physical environment, Lake Shihwa receives enormous amounts of organics, ammonia, and other pollutants from the neighboring municipal and industrial complexes through six major streams, thus developing biogeochemical differentiation of anoxic to suboxic environment in the high saline bottom water and highly eutrophicated brackish surface water. This study investigated vertical structures, biogeochemical behaviors and processes of various organic and inorganic compounds around oxic-anoxic interface. Nitrite and nitrate rapidly decreased below the pycnocline where about $1{\times}10^8$ tons of hypoxic bottom water exist. In this bottom layer, ammonium ranged from 75 to 360 ${\mu}M$ mainly resulting from deamination of dissolved organic nitrogen and ammonification of precipitated organic particles. Despite large amounts of surface water discharge and dilution by outer seawater inflow about $3{\times}10^8$ tons from April to August, 1996, bottom layer did not show any improvement of water quality and maintained highly reduced environment. The main reason seems to be imbalance between ineffectiveness of dilution due to shallow depth and large surface area, overloaded POC influx from the eutrophicated surface biological activity, and poor replenishment of oxygen in this artificial lake system. Therefore, as long as current salinity dependent two-layered system maintains with its physical limitations, any improvement of water quality cannot be foreseen in Lake Shihwa.

• Proceedings of the Materials Research Society of Korea Conference
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• 2011.05a
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• pp.5-5
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• 2011

The research and development of hybrid electric vehicle (HEV), plug-in hybrid electric vehicle (PHEV) and electric vehicle (EV) are intensified due to the energy crisis and environmental concerns. In order to meet the challenging requirements of powering HEV, PHEV and EV, the current lithium battery technology needs to be significantly improved in terms of the cost, safety, power and energy density, as well as the calendar and cycle life. One new technology being developed is the utilization of composite cathode by mixing two different types of insertion compounds [e.g., spinel $LiMn_2O_4$ and layered $LiMO_2$ (M=Ni, Co, and Mn)]. Recently, some studies on mixing two different types of cathode materials to make a composite cathode have been reported, which were aimed at reducing cost and improving self-discharge. Numata et al. reported that when stored in a sealed can together with electrolyte at $80^{\circ}C$ for 10 days, the concentrations of both HF and $Mn^{2+}$ were lower in the can containing $LiMn_2O_4$ blended with $LiNi_{0.8}Co_{0.2}O_2$ than that containing $LiMn_2O_4$ only. That reports clearly showed that this blending technique can prevent the decline in capacity caused by cycling or storage at elevated temperatures. However, not much work has been reported on the charge-discharge characteristics and related structural phase transitions for these composite cathodes. In this presentation, we will report our in situ x-ray diffraction studies on this mixed composite cathode material during charge-discharge cycling. The mixed cathodes were incorporated into in situ XRD cells with a Li foil anode, a Celgard separator, and a 1M $LiPF_6$ electrolyte in a 1 : 1 EC : DMC solvent (LP 30 from EM Industries, Inc.). For in situ XRD cell, Mylar windows were used as has been described in detail elsewhere. All of these in situ XRD spectra were collected on beam line X18A at National Synchrotron Light Source (NSLS) at Brookhaven National Laboratory using two different detectors. One is a conventional scintillation detector with data collection at 0.02 degree in two theta angle for each step. The other is a wide angle position sensitive detector (PSD). The wavelengths used were 1.1950 ${\AA}$ for the scintillation detector and 0.9999 A for the PSD. The newly installed PSD at beam line X18A of NSLS can collect XRD patterns as short as a few minutes covering $90^{\circ}$ of two theta angles simultaneously with good signal to noise ratio. It significantly reduced the data collection time for each scan, giving us a great advantage in studying the phase transition in real time. The two theta angles of all the XRD spectra presented in this paper have been recalculated and converted to corresponding angles for ${\lambda}=1.54\;{\AA}$, which is the wavelength of conventional x-ray tube source with Cu-$k{\alpha}$ radiation, for easy comparison with data in other literatures. The structural changes of the composite cathode made by mixing spinel $LiMn_2O_4$ and layered $Li-Ni_{1/3}Co_{1/3}Mn_{1/3}O_2$ in 1 : 1 wt% in both Li-half and Li-ion cells during charge/discharge are studied by in situ XRD. During the first charge up to ~5.2 V vs. $Li/Li^+$, the in situ XRD spectra for the composite cathode in the Li-half cell track the structural changes of each component. At the early stage of charge, the lithium extraction takes place in the $LiNi_{1/3}Co_{1/3}Mn_{1/3}O_2$ component only. When the cell voltage reaches at ~4.0 V vs. $Li/Li^+$, lithium extraction from the spinel $LiMn_2O_4$ component starts and becomes the major contributor for the cell capacity due to the higher rate capability of $LiMn_2O_4$. When the voltage passed 4.3 V, the major structural changes are from the $LiNi_{1/3}Co_{1/3}Mn_{1/3}O_2$ component, while the $LiMn_2O_4$ component is almost unchanged. In the Li-ion cell using a MCMB anode and a composite cathode cycled between 2.5 V and 4.2 V, the structural changes are dominated by the spinel $LiMn_2O_4$ component, with much less changes in the layered $LiNi_{1/3}Co_{1/3}Mn_{1/3}O_2$ component, comparing with the Li-half cell results. These results give us valuable information about the structural changes relating to the contributions of each individual component to the cell capacity at certain charge/discharge state, which are helpful in designing and optimizing the composite cathode using spinel- and layered-type materials for Li-ion battery research. More detailed discussion will be presented at the meeting.

• Journal of the Korean Electrochemical Society
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• v.19 no.1
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• pp.1-8
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• 2016

Capacity of layered lithium nickel-cobalt-manganese oxide ($LiNi_{1-x-y}Co_xMn_yO_2$) cathode material can increase by raising the charge cut-off voltage above 4.3 V vs. $Li/Li^+$, but it is limited due to anodic instability of conventional electrolyte. We have been screening and evaluating various sulfone-based compounds of dimethyl sulfone (DMS), diethyl sulfone (DES), ethyl methyl sulfone (EMS) as electrolyte additives for high-voltage applications. Here we report improved cycling performance of $LiNi_{0.5}Co_{0.2}Mn_{0.3}O_2$ cathode by the use of dimethyl sulfone (DMS) additive under an aggressive charge condition of 4.6 V, compared to that in conventional electrolyte, and cathode-electrolyte interfacial reaction behavior. The cathode with DMS delivered discharge capacities of $198-173mAhg^{-1}$ over 50 cycles and capacity retention of 84%. Surface analysis results indicate that DMS induces to form a surface protective film at the cathode and inhibit metal-dissolution, which is correlated to improved high-voltage cycling performance.

• Journal of the Korean Chemical Society
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• v.50 no.4
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• pp.315-320
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• 2006

manganese oxides have been prepared by Chimie Douce redox reaction between permanganate and chalcogen element fine powder under acidic condition (pH = 1). According to powder X-ray diffraction analyses, the S- and Se-doped manganese oxides are crystallized with layered birnessite and tunnel-type -MnO2 structures, respectively. On the contrary, Te-doped compound was found to be X-ray amorphous. According to EDS analyses, these compounds contain chalcogen dopants with the ratio of chalcogen/manganese = 4-7%. We have investigated the chemical bonding character of these materials with X-ray absorption spectroscopic (XAS) analysis. Mn K-edge XAS results clearly demonstrated that the manganese ions are stabilized in octahedral symmetry with the mixed oxidation states of +3/+4. On the other hand, according to Se K- and Te L1-edge XAS results, selenium and tellurium elements have the high oxidation states of +6, which is surely due to the oxidation of neutral chalcogen element by the strong oxidant permanganate ion. Taking into account their crystal structures and Mn oxidation states, the obtained manganese oxides are expected to be applicable as electrode materials for lithium secondary batteries.

• Transactions of the Korean hydrogen and new energy society
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• v.31 no.1
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• pp.132-137
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• 2020

Lithium secondary batteries have become an important power source for portable electronic devices such as cellular phones, laptop computers. Presently, commercialized lithium-ion batteries use a LiCoO₂ cathode. However, due to the high cost and environmental problems resulting from cobalt, an intensive search for new electrode materials is being actively conducted. Recently, solid solution LiMn_1-xNi_xO₂ have become attractive because of high capacity and enhanced safety at high voltages over 4.5 V. The Li_1.6Ni_0.35Mn_0.65O₂ compounds were conventionally prepared by a sol-gel method, which can produce the layered Li-Ni-Mn-O compounds with a high homogeneity. And by adding a graphene 2wt% the first charge-discharge voltage profiles was increased over Li_1.6Ni_0.35Mn_0.65O₂ compound. Also, the variation s of the discharge capacities with cycling showed a higher capacity retention rater. In this study, material lifecycle evaluation was performed to analyze the environmental impact characteristics of Li_1.6Ni_0.35Mn_0.65O₂ & graphene 2wt% half-cell manufacturing process. The software of material life cycle assessment was Gabi. Through this, environmental impact assessment was performed for each process. The environmental loads induced by Li_1.6Ni_0.35Mn_0.65O₂ & graphene 2wt% synthesis process were quantified and analyzed, and the results showed that the amount of power had the greatest impact on the environment.

• Elastomers and Composites
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• v.44 no.4
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• pp.455-465
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• 2009

In this study, Organo-montmorillonite(MMT) was synthesized by intercalation of various amine(Octylamine, Dodecylamine, Dimethyldodecylamine, Octadecylamine) compounds into layered silicate. Natural Rubber(NR)/MMT nanocomposites were prepared by reinforcement of Organo-MMT. X-ray diffraction(XRD) and Scanning electron microscope(SEM) were employed to characterize the layer distance of Organo-MMT and the morphology of the NR/MMT nanocomposites. The structures of the synthesized Organo-MMTs were analyzed by the measurement of FT-IR. Cure characteristics, surface free energy and mechanical properties such as tensile strength, modulus and hardness of NR/MMT nanocomposites were carefully studied by contact angle meter, ODR, UTM, and hardness tester. FT-IR analysis showed a insertion of the alkyl and amine chains into the interlayers of the MMT. It was shown that the cure time of the organo-MMT was more decreased than that of $Na^+$-MMT. Surface free energy and tensile strength of the NR/DDA-MMT nanocomposite were the highest. NR/ODA-MMT nanocomposite was the highest in hardness.

• Applied Chemistry for Engineering
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• v.22 no.2
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• pp.230-234
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• 2011

In this work, the primary material for a single layered hardmask which can afford a spin-on process was prepared by the minture of organic and inorganic sources. The preparation of hybrid polymer was attempted by esterification from silanol terminated siloxane compounds and acetonide-2,2-bis(methoxy)propionic acid. The optical, thermal and morphological properties of the test hardmask film was examined in terms of cross-linking agent and additives. In addition, the etch rate of hardmask film and photo resist layer were compared. The hybrid polymer prepared from organic and inorganic materials was found to be useful for hardmask film to form the nano-patterns.

• Advances in nano research
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• v.13 no.3
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• pp.259-267
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• 2022

Two-dimensional (2D) transition metal carbides/nitrides or "MXenes" belong to a diverse-class of layered compounds, which offer composition- and electric-field-tunable electrical and physical properties. Although the majority of the MXenes, including Ti₃C₂T_x, are metallic, they typically show semiconductor-like behaviour in their percolated thin-film structure; this is also the most common structure used for fundamental studies and prototype device development of MXene. Magnetoconductance studies of thin-film MXenes are central to understanding their electronic transport properties and charge carrier dynamics, and also to evaluate their potential for spin-tronics and magnetoelectronics. Since MXenes are produced through solution processing, it is desirable to develop deposition strategies such as inkjet-printing to enable scale-up production with intricate structures/networks. Here, we systematically investigate the extrinsic negative magnetoconductance of inkjetprinted Ti₃C₂T_x MXene thin-films and report a crossover from weak anti-localization (WAL) to weak localization (WL) near 2.5K. The crossover from WAL to WL is consistent with strong, extrinsic, spin-orbit coupling, a key property for active control of spin currents in spin-orbitronic devices. From WAL/WL magnetoconductance analysis, we estimate that the printed MXene thin-film has a spin orbit coupling field of up to 0.84 T at 1.9 K. Our results and analyses offer a deeper understanding into microscopic charge carrier transport in Ti₃C₂T_x, revealing promising properties for printed, flexible, electronic and spinorbitronic device applications.

• Proceedings of the Materials Research Society of Korea Conference
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• 2012.05a
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• pp.72-72
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• 2012

Lithium rechargeable batteries have been widely used as key power sources for portable devices for the last couple of decades. Their high energy density and power have allowed the proliferation of ever more complex portable devices such as cellular phones, laptops and PDA's. For larger scale applications, such as batteries in plug-in hybrid electric vehicles (PHEV) or power tools, higher standards of the battery, especially in term of the rate (power) capability and energy density, are required. In PHEV, the materials in the rechargeable battery must be able to charge and discharge (power capability) with sufficient speed to take advantage of regenerative braking and give the desirable power to accelerate the car. The driving mileage of the electric car is simply a function of the energy density of the batteries. Since the successful launch of recent Ni-MH (Nickel Metal Hydride)-based HEVs (Hybrid Electric Vehicles) in the market, there has been intense demand for the high power-capable Li battery with higher energy density and reduced cost to make HEV vehicles more efficient and reduce emissions. However, current Li rechargeable battery technology has to improve significantly to meet the requirements for HEV applications not to mention PHEV. In an effort to design and develop an advanced electrode material with high power and energy for Li rechargeable batteries, we approached to this in two different length scales - Atomic and Nano engineering of materials. In the atomic design of electrode materials, we have combined theoretical investigation using ab initio calculations with experimental realization. Based on fundamental understanding on Li diffusion, polaronic conduction, operating potential, electronic structure and atomic bonding nature of electrode materials by theoretical calculations, we could identify and define the problems of existing electrode materials, suggest possible strategy and experimentally improve the electrochemical property. This approach often leads to a design of completely new compounds with new crystal structures. In this seminar, I will talk about two examples of electrode material study under this approach; $LiNi_{0.5}Mn_{0.5}O_2$ based layered materials and olivine based multi-component systems. In the other scale of approach; nano engineering; the morphology of electrode materials are controlled in nano scales to explore new electrochemical properties arising from the limited length scales and nano scale electrode architecture. Power, energy and cycle stability are demonstrated to be sensitively affected by electrode architecture in nano scales. This part of story will be only given summarized in the talk.