• 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.

• Journal of the Korean Electrochemical Society
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• v.2 no.1
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• pp.38-45
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• 1999

Electrochemical lithium intercalation into a PECVD (plasma enhanced chemical vapour deposited) carbon film electrode was investigated in 1 M $LiPF_6-EC$ (ethylene carbonate) and DEC (diethyl carbonate) solution during lithium intercalation and deintercalation, by using cyclic voltammetry supplemented with ac-impedance spectroscopy. The size of the graphitic crystallite in the a- and c-axis directions obtained from the carbon film electrode was much smaller than those of the graphite one, indicating less-developed crystalline structure with hydrogen bonded to carbon, from the results of AES (Auger electron spectroscopy), powder XRD (X-ray diffraction) method, and FTIR(Fourier transform infra-red) spectroscopy. It was shown from the cyclic voltammograms and ac-impedance spectra of carbon film electrode that a threshold overpotential was needed to overcome an activation barrier to entrance of lithium into the carbon film electrode, such as the poor crystalline structure of the carbon film electrode showing disordered carbon and the presence of residual hydrogen in its structure. The experimental results were discussed in terms of the effect of host carbon structure on the lithium intercalation capability.

• Journal of the Korean Electrochemical Society
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• v.13 no.3
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• pp.186-192
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• 2010

In situ electrochemical atomic force microscopy (ECAFM) observations of the surface of highly oriented pyrolytic graphite (HOPG) was performed before and after cyclic voltammetry in lithium bis(fluorosulfonyl)imide (LiTFSI) dissolved in 1-buthyl-2,3-dimethylimidazolium (BDMI)-TFSI to understand the interfacial reactions between graphite and BDMI-based ionic liquids. The formation of blisters and the exfoliation of graphene layers by the intercalation of $BDMI^+$ cations within HOPG were observed instead of reversible lithium intercalation and de-intercalation. On the other hand, lithium ions are reversibly intercalated into the HOPG and de-intercalatied from the HOPG without intercalation of the $BDMI^+$ cations in the presence of 15 wt% of 4.90 mol/$kg^{-1}$ LiTFSI dissolved in propylene carbonate (PC). ECAFM results revealed that the concentrated PC-based solution is a very effective additive for preventing $BDMI^+$ intercalation through the formation of solid electrolyte interface (SEI).

• Bulletin of the Korean Chemical Society
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• v.27 no.1
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• pp.82-86
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• 2006

Propylene Carbonate (PC) has the interesting properties of being able to dissolve and dissociate lithium salts, thus leading to highly conducting electrolytes even at low temperatures. Moreover, electrolytes that contain PC are stable against oxidation at voltages up to ~5 V. However, it is known that, when lithium is intercalated into graphite in pure PC based electrolytes, solvent co-intercalation occurs, leading to the destruction of the graphite structure. (i.e., exfoliation). The objective of this study was to suppress PC decomposition and prevent exfoliation of the graphite anode by co-intercalation. Electrochemical characteristics were studied using Kawasaki mesophase fine carbon (KMFC) in different 1 M $LiPF_6$/PC-based electrolytes. Electrochemical experiments were completed using chronopotentiometry, cyclic voltammetry, impedance spectroscopy, X-ray diffraction, and scanning electron microscopy. From the observed results, we conclude that the MA and $Li_2CO_3$ additive suppressed co-intercalation of the PC electrolyte into the graphite anode. The use of additives, for reducing the extent of solvent decomposition before exfoliation of the graphite anode, could therefore enhance the stability of a KMFC electrode.

• Journal of the Korean Electrochemical Society
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• v.5 no.2
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• pp.79-85
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• 2002

The present article is concerned with the application of the Monte Carlo simulation to electrochemistry of lithium intercalation from the thermodynamic view point. This article first introduced the fundamental concepts of the ensembles, and Ising and lattice gas models in statistical thermodynamics for the Monte Carlo simulation in brief. Finally the Monte Carlo method based upon the lattice gas model was employed to analyse thermodynamics of the lithium intercalation into the transition metal oxides. Especially we dealt with the thermodynamic properties as the electrode potential curve and the partial molar internal energy and entropy of lithium ion in the case of the $LiMn_2O_4$ electrode, and consequently confirmed the utility of the Monte Carlo method in the field of electrochemistry of the lithium intercalation.

• Carbon letters
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• v.8 no.4
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• pp.285-291
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• 2007

Carbon materials of various morphologies were synthesized by pyrolysis of Soap-nut seeds (Sapindus mukorossi), Jack Fruit seeds (Artocarpus heterophyllus), Date-seeds (Phoenix dactylifera), Neem seeds (Azadirachta indica), Tea leaves (Ehretia microphylla), Bamboo stem (Bambusa bambus) and Coconut fiber (Cocos nucifera), without using any catalyst. Carbon materials thus formed were characterized by SEM XRD and Raman. Carbon thus synthesized varied in size (in ${\mu}m$) but all showed highly porous morphology. These carbon materials were utilized as the anode in Lithium secondary battery. Amongst the various precursors, carbon fibers obtained from Soap-nut seeds (Sapindus mukorossi) and Bamboo stem (Bambusa bambus), even after $100^{th}$ cycles, showed the highest capacity of 130.29 mAh/g and 92.74 mAh/g respectively. Morphology, surface areas and porosity of carbon materials obtained from these precursors were analyzed to provide interpretation for their capacity to intercalate lithium. From the Raman studies it is concluded that graphitic nature of carbon materials assist in the intercalation of lithium. Size of cavity (or pore size of channels type structure) present in carbon materials were found to facilitate the intercalation of lithium.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2010.06a
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• pp.227-227
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• 2010

The intercalation chemistry of graphite presents an attractive route to obtain few-layered graphene platelets based on the expanded interlayer spacing. We report that the lithium can be intercalated into the graphite in a controllable manner by adjusting the variables such as temperature, pressure, and reaction time. From the X-ray diffraction experiments, the lithium-graphite intercalaltion compounds (Li-GICs) can be produced as the first stage compounds ($LiC_6$), the second-stage compounds ($LiC_{12}$), and the mixtures, which is most likely to be dependent on the temperature and reaction time. Since these Li-GICs are expected to facilitate the exfoliation of graphite, we investigated the feasibility of Li-GICs as a effective precursors for the generation of single-or few-layered graphite nano-platelets.

• KIEE International Transactions on Electrophysics and Applications
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• v.3C no.5
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• pp.189-193
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• 2003

Initial irreversible capacity (IIC) can be defined by means of the initial intercalation Ah efficiency (IIE) and the initial irreversible specific capacity at the surface (IICs) with the linear-fit range of the intercalation so as to precisely express the irreversibility of an electrode-electrolyte system. Their relationship was IIC = Qc - Q$_{D}$ = (IIE$^{-1}$ - 1) Q$_{D}$ + IICs in the linear-fit range of IIE. Here, Qc and Qd signify charge and discharge capacity, respectively, based on a complete lithium ion battery cell. Charge indicates lithium insertion to carbon anode. Two terms of IIE and IICs depended on the types of active materials and compositions of the electrode and electrolyte but did not change with charging state. In an ideal electrode-electrolyte system, IIE and IICs would be 100%, 0 mAh/g for the electrode and mAh for the cell, respectively. These properties can be easily obtained by the Gradual Increasing of State of Charge (GISOC).OC).

• 한국전기화학회:학술대회논문집
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• 2002.04a
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• pp.54-55
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• 2002

• Bulletin of the Korean Chemical Society
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• v.31 no.11
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• pp.3183-3189
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• 2010

In order to increase the specific capacitance and energy density of supercapacitors, non-aqueous supercapacitors were prepared using lithium transition-metal oxides and activated carbons as active materials. The electrochemical properties were analyzed in terms of the content of lithium transition-metal oxides. The results of cyclic voltammetry and AC-impedance analyses showed that the pseudocapacitance may stem from the synergistic contributions of capacitive and faradic effects; the former is due to the electric double layer which is prepared in the interface of activated carbon and organic electrolyte, and the latter is due to the intercalation of lithium ($Li^+$) ions. The specific capacitance and energy density of a supercapacitor improved as the lithium transition-metal oxides content increased, showing 60% increase compared to those of supercapacitor using a pure activated carbon positive electrode.