• Journal of the Korean Ceramic Society
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• v.53 no.3
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• pp.306-311
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• 2016

Li-air batteries have received much attention due to their superior theoretical energy density. However, their sluggish kinetics on the cathode side is considered the main barrier to high performance. The rational design of electrode catalysts with high activity is therefore an important challenge. To solve this issue, we performed density functional theory (DFT) calculations to analyze the adsorption behavior of the $LiO_2$ molecule, which is considered to be a key intermediate in both the Li-oxygen reduction reaction (ORR) and the evolution reaction (OER). Specifically, to use the activity descriptor approach, the $LiO_2$ adsorption energy, which has previously been demonstrated to be a reliable descriptor of the cathode reaction in Li-air batteries, was calculated on $LaB_{1-x}B^{\prime}_xO_3$(001) (B, B' = Mn, Fe, Co, and Ni, x = 0.0, 0.5). Our fast screening results showed that $LaMnO_3$, $LaMn_{0.5}Fe_{0.5}O_3$, or $LaFeO_3$ would be good candidate catalysts. We believe that our results will provide a way to more efficiently develop new cathode materials for Li-air batteries.

• Proceedings of the KAIS Fall Conference
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• 2010.11a
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• pp.110-114
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• 2010

Li-incorporated mesoporous $TiO_2$ materials with various pore-sized istributions were synthesized by using triblockcopolymers via a sol-gel process in a queous solution. The properties of the se materials were characterized by HR-TEM, XRD, and BET analysis. All particles have spherical morphology with a diameterrange of $1-3{\mu}m$. The mesoporous $TiO_2$ materials calcined at $400^{\circ}C$ and their specific surface area, average pore size and crystallite sizes were 210 $m^2g^{-1}$, 6.4 nm and 8.8 nm respectively. The Li-incorporated mesoporous $TiO_2$ were tested for $CO_2$ adsorption and its adsorption capacity is 90mg/g. The Li-incorporated mesoporous $TiO_2$ ar eobserved to be thermally stable, recyclable and greens or bent for $CO_2$ capture. The effect of bimetallic $ZrLiTiO_2$ is also studied for $CO_2$ adsorption.

• Korean Chemical Engineering Research
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• v.45 no.2
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• pp.160-165
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• 2007

The synthesis and the characterization of Low Silica X (LSX) zeolite for nitrogen adsorption have been studied. The performance of LSX zeolite for nitrogen adsorption was compared to that of the commercial zeolite. The $Na_2O/(Na_2O+K_2O)$ ratio in the gel and the crystallization time were fixed as the synthetic factor. The LSX zeolite was formed at the $Na_2O/(Na_2O+K_2O)$ ratio of 0.75. The formation of LSX zeolite was confirmed by XRD and SEM. The Si/Al ratio was investigated by using XRF and FT-IR. The synthesized LSX zeolite showed a lower Si/Al ratio than the NaY and NaX zeolites although they have a same faujasite structure. The Si/Al ratio of the LSX zeolite converged close to 1. 1A (Li, Na, K) and 2A (Mg, Ca, Ba) group elements were ion-exchanged to the LSX zeolite. As the charge density of cation rises, the amount of nitrogen adsorbed increased. $Li^+$ ion-exchanged LSX zeolite showed the highest nitrogen adsorption weight. When the Li/Al ratio was over 0.65, nitrogen adsorption increased remarkably. $Li^+$ ions located on the supercage (site III, III') in the LSX zeolite played a role as nitrogen adsorption sites. When the $Ca^{2+}$ ions were added to the LiLSX zeolite by ion-exchange method, the performance for nitrogen adsorption increased more. The performance for the nitrogen adsorption was the highest at the Ca/Al ratio of 0.26. Nitrogen adsorption capacity of LiCaLSX (Ca/Al=0.26) zeolite was superior to the commercial NaX zeolite.

• Applied Chemistry for Engineering
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• v.16 no.1
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• pp.123-130
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• 2005

Zeolite X adsorbents with large surface area were prepared for using oxygen PSA adsorbent. Selective adsorption performance of nitrogen on the synthesized zeolite X adsorbent was improved by the cation exchange of adsorbent. The zeolite X which had over $650m^2/g$ surface area was synthesized at the conditions of $SiO_2\;:\;Na_2O\;:\;H_2O\;:\;Al_2O_3$ = 2.5 : 3.5 : 150 : 1 mole ratio, $98^{\circ}C$ temperature and 18 h synthesized time in 50 L reactor. The metal ions Li, Ag, Ca, Br, Sr, etc. were investigated for ion exchange with zeolite X. Ag ion was showed the highest ion exchange rate among these metal ions and all metal ions were exchanged with Na ion at equivalent rate. Compared with the NaX adsorbent, the ion exchanged zeolite X adsorbent remarkably improved its adsorption performance of nitrogen at the conditions of $10{\sim}40^{\circ}C$ temperature and 0~9 atm pressure. At an equilibrium pressure under 0.5 atm, adsorption performance of nitrogen on the ion exchanged zeolite adsorbent increased in the order of Ag > Li > Ca > Sr> Ba > K, whereas at an equilibrium pressure over 1 atm showed in the order of Li > Ag > Ca > Sr > Ba > K. Nitrogen/oxygen separation factor of Li ion exchanged zeolite X adsorbent was 13.023 at the partial pressure of nitrogen/oxygen gas mixture similar to air and $20^{\circ}C$ adsorption temperature.

• Applied Chemistry for Engineering
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• v.17 no.3
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• pp.250-254
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• 2006

Reaction of $CO_2$ with $Li_{2}ZrO_{3}$ has been investigated in a TGA and the effects of $H_{2}$ and CO on the removal of $CO_{2}$ using $Li_{2}ZrO_{3}$ were evaluated in a packed bed reactor. The initial rate of $CO_{2}$ removal reaction of $Li_{2}ZrO_{3}$ increased with the increase of gas flow rate up to 100 mL/min and then was maintained, which implied the disappearance of the gas film resistance. The reaction of $CO_{2}$ with $Li_{2}ZrO_{3}$ took place as the first order and the range of optimum temperature was found to be about $500{\sim}600^{\circ}C$. XRD and SEM analysis showed the formation of crystalline $Li_{2}ZrO_{3}$ and porous $Li_{2}ZrO_{3}$/$ZrO_{2}$. The presence of $H_{2}$ did not affect the adsorption of $CO_2$ with $Li_2ZrO_3$. On the other hand, CO inhibited the sorption of $CO_{2}$ into $Li_{2}CO_{3}$(L) on $Li_{2}ZrO_{3}$.

• Current Applied Physics
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• v.18 no.12
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• pp.1528-1533
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• 2018

The trajectories of adsorption and dissociation process of $O_2$ on the Al (111) surface were studied by the spinpolarized ab initio molecular dynamics method, and the adsorption activation energy was clarified by the NEB method with hybrid functionals. Three typical dissociation trajectories were found through simulation of $O_2$ molecule at different initial positions. When vertically approaches to the Al surface, the $O_2$ molecule tends to rotate, and the activation energy is 0.66eV. If $O_2$ molecule does not rotate, the activation energy will increase to 1.43 eV, and it makes the O atom enter the Al sublayer eventually. When the $O_2$ molecules parallel approach to the Al surface, there is no activation energy, due to the huge energy released during the adsorption process.

• Resources Recycling
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• v.31 no.4
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• pp.49-55
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• 2022

In this study, the heavy metal ions (of Pb, Cd, Cr, and Hg) in wastewater were removed using a spent Li₂O-Al₂O₃-SiO₂-based crystallized glass previously used as an induction top plate material. Changes in the removal efficiency of heavy metals according to different reaction parameters, such as the amount of zeolite used as a heavy-metal adsorbent, adsorption time, initial concentration of the heavy metals, and pH of the initial solution, were investigated. As the amount of zeolite added increased, the heavy-metal removal efficiency also increased. Adsorption time had a considerable influence on adsorption characteristics, and the removal efficiency of all heavy metals increased with increasing adsorption time. In the case of Cd, the removal efficiency was greatly improved depending on the adsorption time. The initial concentration of the heavy-metal solution did not affect the removal efficiency; however, the initial pH of the heavy-metal solution affected the removal efficiency. More specifically, the removal efficiency of Cd increased while that of Pb and Cr decreased with increasing pH. The adsorption characteristics of Hg were not significantly affected by pH.

• Membrane and Water Treatment
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• v.10 no.5
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• pp.353-360
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• 2019

ZSM-5 membrane was prepared on tubular macroporous ${\alpha}$-alumina support using a different synthesis route. The effects of organic template agent and Si/Al ratio of the synthesis gel on morphology, structure, and separation performance of the ZSM-5 membrane used for dehydration of isopropanol were investigated. High water perm-selectivity ZSM-5 membrane with a thickness of about $3.0{\mu}m$ and a low Si/Al ratio of 10.1 was successfully prepared from organotemplate-free synthesis gel with a molar composition of $SiO_2$ : $0.050Al_2O_3$ : $0.21Na_2O$ : NaF : $51.6H_2O$ at $175^{\circ}C$ for 24 h. The ZSM-5 membrane exhibited high pervaporation performance with a flux of $3.92kg/(m^2{\cdot}h)$ and corresponding separation factor of higher than 10,000 for dehydration of 90 wt.% isopropanol/water mixture at $75^{\circ}C$.

• Bulletin of the Korean Chemical Society
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• v.21 no.10
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• pp.1047-1048
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• 2000

Dye-sensitized nanocrystalline rutile $TiO_2$ solar cells were prepared, and the influence of Li+ and 1,2-dimethyl-3-hexyl imidazolium ions in the electrolyte on the photovoltaic properties was compared. The electrolyte con-taining Li+ ions produced a lower open-circuit photovoltage than the electrolyte with 1,2-dimethyl-3-hexyl im-idazolium ions, suggesting that the adsorption of Li+ ions to the rutile $TiO_2$ surface causes a shift in the band edges toward more positive potentials. At the same time, both the short-circuit photocurrent and the maximum value of the incident-photon-current conversion efficiency (IPCE) of the electrolyte containing Li+ ions were relatively higher. Data analysis suggests that presence of adsorbed Li+ ions improves via the phenomenon of band-edge movement the charge-injection efficiency by altering both the energy and number of excited state levels of the dye that participate in electron injection.

• 한국신재생에너지학회:학술대회논문집
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• 2010.06a
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• pp.132.2-132.2
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• 2010

Mesoporous tinoxide ($SnO_2$) as anode materials for Li-ion battery were prepared by hydrothermal method and templating method using SBA-15 as template. And electrochemical properties of $SnO_2$ electrode were investigated with cyclic voltammogram (CV). The morphology and structures of $SnO_2$ were characterized by transmission electron microscopy (TEM) and X-ray diffractometer (XRD), respectively. The specific surface area was defined by $N_2$ adsorption with BET(Brunauer-Emmett-Teller) method. As a result, the surface area of mesoporous $SnO_2$ which was made from templating method is higher than the case of using hydrothermal method. In addition, in anodic performance, mesoporous $SnO_2$ which is prepared by templating method showed higher charge-discharge capasity compared to hydrothermal method and exhibited excellent stability over the entire cycle number. It was indicated that electrochemical performances of mesoporous $SnO_2$mainly affected to the structural features, such as specific surface area and porosity.