• Journal of the Korean Electrochemical Society
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• v.13 no.4
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• pp.290-294
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• 2010

We performed a density functional theory study to investigate the intercalation voltage and lithium ion conduction in lithium cobalt oxide for lithium ion battery as a function of the lithium concentration. There were two methods for the intercalation of lithium ions; the intercalation of a lithium ion at a time in the individual layer and the intercalation of lithium ions in all the sites of one layer after all the sites of another layer. The average intercalation voltage was the same value, 3.48 V. However, we found the former method was more favorable than the latter method. The lattice parameter c was increased as the increase of the lithium concentration in the range of x < 0.25 while it was decreased as increase of the lithium concentration in the range of x > 0.25. The energy barrier for the conduction of lithium ion in lithium cobalt oxide was increased as the lithium concentration was increased. We demonstrated that the decrease of the intercalation voltage and increase of the energy barrier as the increase of the lithium concentration caused lower output voltage during the discharge of the lithium ion battery.

• Ceramist
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• v.21 no.4
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• pp.416-426
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• 2018

Water splitting is regarded as one of the most environmentally benign routes for hydrogen production. Nevertheless, the low energy efficiency to produce the hydrogen has been a critical bottleneck, which is attributable to the multi-electron and multi-step reactions during water splitting reaction. In this respect, the development of efficient, durable, and inexpensive catalysts that can promote the reaction is indispensable. Extensive searching for new catalysts has been carried out for past decades, identifying several promising catalysts. Recently, researchers have found that conventional battery materials; particularly high-voltage intercalation-based cathode materials, could exhibit remarkable performance in catalyzing the water splitting process. One of the unique capabilities in this class of materials is that the valency state of metals and the atomic arrangement of the structure can be easily tailored, based on simple intercalation chemistry. Moreover, taking advantage of the rich prior knowledge on the intercalation compounds can offer the unexplored path to identify new water splitting catalysts.

• Bulletin of the Korean Chemical Society
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• v.30 no.4
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• pp.817-820
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• 2009

To meet the high current load requirement from the high energy density realized by metal oxide and high power density graphite, we propose a novel hybrid supercapacitor consisting of Nb2O5 and KS6 graphite in 1.0 M LiPF6-EC:DEC (1:2). This new system exhibits a sloping voltage profile from 2.7 to 3.5 V during charging and presents a high operating voltage plateau between 1.5 and 3.5 V during discharging. The cell was tested at a current density of 100 mA/g with a cut-off voltage between 3.0 and 1.0 V. This novel energy storage system delivers the highest initial discharge capacity of 55 mAh/g and exhibits a good cycle performance.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2010.06a
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• pp.87-87
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• 2010

Epoxy/mica has been used as the material of high-voltage rotator stator winding due to its high insulation performance, mechanical strength, and thermal stability. In recent years, however, it shows frequent changes in the load of generators and frequent automatic stops due to the significant increase in peak loads from the increase in the applied load of power facilities according to the introduction of advanced and high-technology equipments. Thus, it is necessary to develop new materials that highly develop the conventional insulation materials. Nanotechnology introduced in the present time has become an alternative plan that overcomes such technical limitations. In addition, the nano-scaled intercalation composite has been known as the material that represent excellent electrical, mechanical, and thermal characteristics compared to the conventional materials. This study investigated the dielectric dispersion and relaxation characteristics of the nanocomposite, which was fabricated by mixing epoxy matrix with nano-scaled intercalation mica and clay, according to changes in frequencies and temperatures.

• Journal of the Korean institute of surface engineering
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• v.42 no.1
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• pp.8-12
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• 2009

Electronic structures and chemical bonding of Li-intercalated $LiTiS_2$ and $LiTiO_2$ were investigated by using discrete variational $X{\alpha}$ method as a first-principles molecular-orbital method. ${\alpha}-NaFeO_2$ structure is the equilibrium structure for $LiCoO_2$, which is widely used as a commercial cathode material for lithium secondary battery. The study especially focused on the charge state of Li ions and the magnitude of covalency around Li ions. The average voltage of lithium intercalation was calculated using pseudopotential method and the average intercalation voltage of $LiTiO_2$ was higher than that of $LiTiS_2$. It can be explained by the differences in Mulliken charge of lithium and the bond overlap population between the intercalated Li ions and anions in $LiTiO_2$ as well as $LiTiS_2$. The Mulliken charge, which means the ionicity of Li atom, was approximately 0.12 in $LiTiS_2$ and the bond overlap population (BOP) indicating the covalency between Ti and S was about 0.339. One the other hands, the Mulliken charge of lithium was about 0.79, which means that Li is fully ionized. The BOP, the covalency between Ti and O, was 0.181 in $LiTiO_2$. Because of high ionicity of Li and the weak covalency between Ti and the nearest anion, $LiTiO_2$ has a higher intercalation voltage than that of $LiTiS_2$.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.11 no.11
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• pp.1049-1054
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• 1998

The LiCo$O_2$ powder was synthesized by a solution phase reaction. This shows a high (003) peak intensity and low (104) or (101) peak intensities in X-ray diffraction spectra. The LiCo$O_2$/Li cell shows an initial discharge capacity of 102.9mAh/g and an average discharge potential or 3.877V at a current density of 50mA/g between 3.0~4.2V. The peaks of dQ/dV plot are associated with Li ion intercalation/deintercalation reaction. To evaluate the cycleability of an actual battery system, cylindrical lithium ion cell was manufactured using graphitized MPCF anode and LiCoO$_2$ cathode. After 100th cycle, this cel maintains 80% capacity of 10th cycle value. The LiCoO$_2$/MPCF cell has a high discharge voltage of 3.6~3.7V and a good cycle life performance on cycling between 4.2~2.7V.

• Journal of Electrochemical Science and Technology
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• v.2 no.1
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• pp.14-19
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• 2011

Quasi-equilibrium profiles are analyzed through galvanostatic intermittent titration technique (GITT) and potentiostatic intermittent titration technique (PITT) to study the charge/discharge mechanism in multicomponent olivine structure ($LiMn_{1/3}Fe_{1/3}Co_{1/3}PO_4$). From GITT data, the degree of polarization is evaluated for the three regions corresponding to the redox couples of $Mn^{2+}/Mn^{3+}$, $Fe^{2+}/Fe^{3+}$ and $Co^{2+}/Co^{3+}$. From PITT data, the current vs. time responses are examined in each titration step to find out the mode of lithium de-intercalation/intercalation process. Furthermore, lithium diffusivities at specific compositions (x in $Li_xMn_{1/3}Fe_{1/3}Co_{1/3}PO_4$) are also calculated. Finally, total capacity ($Q^{total}$) and diffusional capacity ($Q^{diff}$) are obtained for some selected voltage steps. The entire study consistently confirms that the charge/discharge mechanism of multicomponent olivine cathode is associated with a one-phase reaction rather than a biphasic reaction.

• Carbon letters
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• v.12 no.3
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• pp.180-183
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• 2011

Li metal is accepted as a good counter electrode for electrochemical impedance spectroscopy (EIS) as the active material in Li-ion and Li-ion polymer batteries. We examined the existence of signal noise from a Li-metal counter quantitatively as a preliminary study. We suggest an electrochemical cell with one switchable electrode to obtain the exact impedance signal of active materials. To verify the effectiveness of the switchable electrode, EIS measurements of the solid electrolyte interphase (SEI) before severe $Li^+$ intercalation to SFG6 graphite (at > ca. 0.25 V vs. Li/$Li^+$) were taken. As a result, the EIS spectra without the signal of Li metal were obtained and analyzed successfully for the following parameters i) $Li^+$ conduction in the electrolyte, ii) the geometric resistance and constant phase element of the electrode (insensitive to the voltage), iii) the interfacial behavior of the SEI related to the $Li^+$ transfer and residence throughout the near-surface (sensitive to voltage), and iv) the term reflecting the differential limiting capacitance of $Li^+$ in the graphite lattice.

• Advances in nano research
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• v.12 no.1
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• pp.25-35
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• 2022

Within the framework of the density functional theory combined with the method of non-equilibrium Green's functions (DFT + NEGF), the features of electron transport in fullerene nanojunctions, which are «core-shell» nanoobjects made of a combination of fullerenes of different diameters C₂₀, C₈₀, C₁₈₀, placed between gold electrodes (in a nanogap), are studied. Their transmission spectra, the density of state, current-voltage characteristics and differential conductivity are determined. It was shown that in the energy range of -0.45-0.45 eV in the transmission spectrum of the "Au-C₁₈₀-Au" nanojunction appears a HOMO-LUMO gap with a width of 0.9 eV; when small-sized fullerenes C₂₀, C₈₀ are intercalation into the cavity C₁₈₀ the gap disappears, and a series of resonant structures are observed on their spectra. It has been established that distinct Coulomb steps appear on the current-voltage characteristics of the "Au-C₁₈₀-Au" nanojunction, but on the current-voltage characteristics "Au-C₈₀@C₁₈₀-Au", "Au-(C₂₀@C₈₀)@C₁₈₀-Au" these step structures are blurred due to a decrease in Coulomb energy. An increase in the number of Coulomb features on the dI/dV spectra of core-shell fullerene nanojunctions was revealed in comparison with nanojunctions based on fullerene C₆₀, which makes it possible to create high-speed single-electron devices on their basis. Models of single-electron transistors (SET) based on fullerene nanojunctions "Au-C₁₈₀-Au", "Au-C₈₀@C₁₈₀-Au" and "Au-(C₂₀@C₈₀)@C₁₈₀-Au" are considered. Their charge stability diagrams are analyzed and it is shown that SET based on C₈₀@C₁₈₀-, (C₂₀@C₈₀)@C₁₈₀- nanojunctions is output from the Coulomb blockade mode with the lowest drain-to-source voltage.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 1998.06a
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• pp.387-390
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• 1998

New Ag-deposited graphite anodes were developed using wet chemical reduction methods for depositing Ag metal onto graphite particles. In this paper, we investigated X-ray diffraction pattern and charge-discharge behavior for Ag-deposited graphite anode. The Lithium ion cello using Ag-deposited graphite anode showed a high average discharge voltage of 3.6∼3.W and a excellent cycle ability than that of conventional graphite. Little capacity loss in this battery may be due to the highly durable Ag-deposited graphite anodes.