• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.228-231
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• 2013

In this study, we investigate the electronic and atomic structure of graphene on O-terminated MgO(111) using density functional theory (DFT) calculations. To suggest a possible direction for future band gap engineering of graphene on MgO(111), adsorption of carbon atoms on graphene/MgO(111) is studied by considering the several adsorption sites. Details in adsorption properties of carbon atoms on graphene/MgO(111) are analyzed in terms of energy band structure.

• 한국정보디스플레이학회:학술대회논문집
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• 2008.10a
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• pp.384-387
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• 2008

We have studied the adsorption of contaminations on the MgO protective layer by Thermal Desorption Spectrometry (TDS). The result shows that the increase in exposure time, MgO thickness and humidity multiply the quantity of adsorbed contaminations. It is also found that the desorption activation energy and contamination quantity is decreased by the additional firing process of MgO layer under oxygen environment.

• Journal of the Korean GEO-environmental Society
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• v.12 no.11
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• pp.31-37
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• 2011

This study investigated on the adsorption and photocatalysis of Reactive Black 5(RB5) by the hydroxyapatite(HAP)/Titanium dioxide($TiO_{2}$) media. The adsorption of RB5 on $TiO_{2}$, HAP and $TiO_{2}$/HAP was investigated during a series of batch adsorption experiments. The amounts adsorbed at equilibrium were measured. Langmuir and Freundlich isotherm models were tested for their applicability. The result of equilibrium studies of $TiO_{2}$, HAP and $TiO_{2}$/HAP adsorbent were found to follow Langmuir isotherm model. The adsorbed amounts(Qmax) were found to be 5.28mg/g on single $TiO_{2}$, 12.45mg/g on single HAP and 9.03mg/g on $TiO_{2}$/HAP, respectively. The experimental data were analysed using the pseudo-first-order adsorption and photocatalysis kinetic models. According to these models, RB5 degradation by $TiO_{2}$/HAP was affected by interaction effect of photocatalysis and adsorption.

• Journal of the Korean Physical Society
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• v.73 no.9
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• pp.1324-1328
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• 2018

By employing ab-initio total-energy and electronic-structure calculations based on the density-functional theory, we studied the effects of surface strain ${\varepsilon}_s$ on the adsorption properties of a Au adatom on defective MgO(001) surfaces with surface oxygen vacancies ($F_s$ centers). The formation energy of the $F_s$ center on MgO(001) varied very slightly in the region of ${\varepsilon}_s$ from -6% to -4% and monotonically decreased with the increase in ${\varepsilon}_s$, from -4% to +6%. As ${\varepsilon}_s$ increased, the adsorption energy ($E^{Fs}_{ads}$) of Au on the $F_s$ center of strained MgO(001) monotonically decreased and, in particular, showed a much larger decrease in $E^{Fs}_{ads}$ for a tensile surface strain of ${\varepsilon}_s$ > +4%. The surface strain dependence on the physical properties, such as the charge states, the spatial charge rearrangement, for Au on the $F_s$ center of strained MgO(001) surfaces was also analyzed. These results provide important physical information on the effects of surface strain on the adsorption of Au on MgO(001) surfaces with $F_s$ centers.

• Carbon letters
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• v.24
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• pp.82-89
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• 2017

In this study, composite PAN-based ACNFs embedded with MgO and $MnO_2$ were prepared by the electrospinning method. The resultant pristine ACNFs, ACNF/MgO and $ACNF/MnO_2$ were characterized in terms of their morphological changes, SSA, crystallinity and functional group with FESEM-EDX, the BET method, XRD and FTIR analysis, respectively. Results from this study showed that the SSA of the ACNF/MgO composite ($1893m^2g^{-1}$) is significantly higher than that of the pristine ACNFs and $ACNF/MnO_2$ which is 478 and $430m^2g^{-1}$, respectively. FTIR analysis showed peaks of 476 and $547cm^{-1}$, indicating the presence of MgO and $MnO_2$, respectively. The FESEM micrographs analysis showed a smooth but coarser structure in all the ACNFs. Meanwhile, the ACNF/MgO has the smallest fiber diameter ($314.38{\pm}62.42nm$) compared to other ACNFs. The presence of MgO and $MnO_2$ inside the ACNFs was also confirmed with EDX analysis as well as XRD. The adsorption capacities of each ACNF toward $CH_4$ were tested with the volumetric adsorption method in which the ACNF/MgO exhibited the highest $CH_4$ adsorption up to $2.39mmol\;g^{-1}$. Meanwhile, all the ACNF samples followed the pseudo-second order kinetic model with a $R^2$ up to 0.9996.

• Bulletin of the Korean Chemical Society
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• v.32 no.8
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• pp.2560-2564
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• 2011

Mesoporous silicon dioxide (meso-$SiO_2$) was prepared using cetyltrimethylammonium bromide as the structure-directing reagent and tetraethyl orthosicate as the silicon source. The influence of pH value on the adsorption behavior of bisphenol A (BPA) was investigated. The adsorption capacity of BPA onto meso-$SiO_2$ increases slightly with pH value from 2 to 6, and then gradually decreases as further improving pH value. The effect of temperature was also studied, and the adsorption capacity of BPA gradually declines with increasing temperature. The adsorption kinetics and thermodynamics of BPA were examined. It is found that the adsorption of BPA onto meso-$SiO_2$ is in good agreement with Langmuir adsorption model. The rate constant of adsorption is $5.17{\times}10^{-3}g\;mg^{-1}\;min^{-1}$, and the maximum adsorption capacity is as high as 353.4 $mg\;g^{-1}$ at 20 $^{\circ}C$.

• Korean Chemical Engineering Research
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• v.61 no.3
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• pp.472-478
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• 2023

In this study, the acetaldehyde removal characteristics of activated carbon (AC) for air purifier filters were investigated using metal catalysts-impregnation and functional group-modification method. The AC with a high specific surface area(1700 m²/g) and micropores was prepared by KOH activation of coconut charcoal and the efficiency of catalyst and functional group immobilization was examined by varying the drying conditions within the pores after immersion. The physical properties of the prepared activated carbon were analyzed by BET, ICP, EA, and FT-IR, and the acetaldehyde adsorption performances were investigated using gas chromatography (GC) at various impregnation and modified conditions. As the concentration of impregnation solution increased, the amount of impregnated metal catalysts increased, while the specific surface area showed a decreasing trend. The adsorption tests of the metal catalyst-impregnated and functional group-modified activated carbons revealed that excellent adsorption performance in compositions MgO10@AC, CaO10@AC, EU10@AC, and H-U3N1@AC, respectively. The MgO10@AC, which showed the highest adsorption performance, had a breakthrough time of 533.8 minutes and adsorption capacity of 57.4 mg/g for acetaldehyde adsorption. It was found that the nano-sized MgO catalyst on the activated carbon improved the adsorption performance by interacting with carbonyl groups of acetaldehyde.

• Applied Chemistry for Engineering
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• v.22 no.2
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• pp.224-229
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• 2011

Adsorption characteristics of erythrosine dye onto the activated carbon has been investigated in a batch system with respect to initial concentration, contact time and temperature. Kinetic studies of the adsorption of erythrosine were carried out at 298 K, using aqueous solutions with 100, 250 and 500 mg/L concentration of erythrosine. The adsorption process followed a pseuo second order model, and the adsorption rate constant (k2) decreased with increasing the initial concentration of erythrosine. The equilibrium process can be well discribed by Freundlich isotherm in the temperature range from 298 to 318 K. Free energy of adsorption (${\Delta}G^o$), enthalpy (${\Delta}H^o$), and entropy (${\Delta}S^o$) change were calculated to predict the nature the adsorption. The estimated values for ${\Delta}G^o$ were -3.72~-9.62 kJ/mol over the activated carbon at 250 mg/L, indicated toward a spontaneous process. The positve value for ${\Delta}H^o$ indicates that the adsorption of erythrosine dye on activated carbon is an endothermic process.

• Journal of Environmental Science International
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• v.27 no.11
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• pp.1095-1104
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• 2018

The adsorption characteristics of bisphenol A (BPA) were investigated using activated carbon based on waste citrus peel (which is abandoned in large quantities in Jeju Island), denoted as WCP-AC, and surface-modified with various $P_2O_5$ concentrations (WCP-SM-AC). Moreover, coconut-based activated carbon (which is marketed in large amounts) was surface-modified in an identical manner for comparison. The adsorption equilibrium of BPA using the activated carbons before and after surface modification was obtained at nearly 48 h. The adsorption process of BPA by activated carbons and surface-modified activated carbons was well-described by the pseudo second-order kinetic model. The experimental data in the adsorption isotherm followed the Langmuir isotherm model. With increasing $P_2O_5$ concentration (250-2,000 mg/L), the amounts of BPA adsorbed by WCP-SM-AC increased till 1,000 mg/L of $P_2O_5$; however, above 1,000 mg/L of $P_2O_5$, the same amounts adsorbed at 1,000 mg/L of $P_2O_5$ were obtained. With increasing reaction temperature, the reaction rate increased, but the adsorbed amounts decreased, especially for the activated carbon before surface modification. The amounts of BPA adsorbed by WCP-AC and WCP-SM-AC were similar in the pH range of 5-9, but significantly decreased at pH 11, and increased with increasing ionic strength due to screening and salting-out effects.

• Journal of Korean Society of Environmental Engineers
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• v.37 no.4
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• pp.246-252
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• 2015

In steel factory, hot roller cleaning process produces a lot of iron oxide particles called as mill scale. Major components of these particles are wustite (FeO), magnetite ($Fe_3O_4$), and hematite ($Fe_2O_3$). In this study, we tried to produce pure magnetite from the mill scale because of the largest phosphate adsorption capacity of the magnetite. The mill scale was treated with acid (HCl+$H_2O_2$), base (NaOH), and acid-base ($H_2SO_4$+NaOH). Batch adsorption tests showed the acid and/or base treatment could increase the phosphate adsorption capacity of the iron oxides from 0.28 to over 3.11 mgP/g. Magnetite, which could be obtained by acid and base treatment of the mill scale, showed the best adsorption capacity. From the kinetic analysis, both Freundlich and Langmuir isotherm well described the phosphate adsorption behavior of the magnetite. In Langmuir model, maximum phosphate adsorption capacity was found to be 5.1 mgP/g at $20^{\circ}C$.