• Clean Technology
• /
• v.19 no.4
• /
• pp.476-480
• /
• 2013

The growth behavior of $CH_4$ and $SF_6$ mixture gas hydrate has been investigated by a combined approach of Raman spectroscopy and molecular modeling. Raman spectroscopy results presented that when $CH_4$ is used only, $CH_4$ guest molecule is inserted first into the large cavity of the host structure built by $H_2O$ molecules and then into the small cavity to stabilize the whole gas hydrate structure. In the other hand, when $SF_6$ is mixed together, $SF_6$ is favored over (or competing with) $CH_4$ in being inserted into the large cavity and the small cavity still prefers $CH_4$ insertion. The calculations of binding energies clearly supported this. While $SF_6$ has a binding energy of -26.9 kcal/mol a little lower than -24.2 kcal/mol of $CH_4$ in the large cavity, $SF_6$ and $CH_4$ has 1.2 kcal/mol and -22.0 kcal/mol, respectively, in the small cavity. It indicates that the sizable $SF_6$ is not preferred in the small cavity but has a relative energetic advantage over $CH_4$ in the large cavity.

• Economic and Environmental Geology
• /
• v.42 no.5
• /
• pp.479-486
• /
• 2009

In natural environments, manganese (Mn) exists in the valence of +2, +3, and +4 and plays a pivotal role as a strong oxidant or reductant in the geochemical cycles of elements. Especially, Mn forms varying (oxyhydr)oxides. The oxidation state of structural Mn is characteristic to each oxide and is one of the most important factors controlling its geochemical behaviors such as solubility, sorption capacity, and redox potential. Therefore, it is important to elucidate processes governing Mn oxidation state in predicting the fate and transport of many redox sensitive elements in the environment. X-ray photoelectron spectroscopy (XPS) is a very useful method to determine the oxidation state of various elements in solid phases. In this study, the oxidation states of structural Mn in MnO, $Mn_2O_3$, $MnO_2$ were assessed based on the binding energy spectra of $Mn2p_{3/2}$ and Mn3s using XPS and were compared with those reported elsewhere. $Mn2p_{3/2}$ binding energies were determined as 640.9, 641.5, 641.8 eV for MnO, $Mn_2O_3$, $MnO_2$, respectively, which indicates that the binding energy increased with increasing Mn oxidation state. It was also noted that Ar etching may cause changes in electronic structure configuration on surface of the original sample.

• Journal of Environmental Science International
• /
• v.17 no.8
• /
• pp.933-941
• /
• 2008

The formation of $Co_nTiO_{n+2}$ compounds, i.e., $CoTiO_3$ and $CO_2TiO_4$, in a 5wt% $CoO_x/TiO_2$ catalyst after calcination at different temperatures has been characterized via scanning electron microscopy (SEM), Raman and X-ray photoelectron spectroscopy (XPS) measurements to verify our earlier model associated with $CO_3O_4$ nanoparticles present in the catalyst, and laboratory-synthesized $Co_nTiO_{n+2}$ chemicals have been employed to directly measure their activity profiles for CO oxidation at $100^{\circ}C$. SEM measurements with the synthetic $CoTiO_3$ and $CO_2TiO_4$ gave the respective tetragonal and rhombohedral morphology structures, in good agreement with the earlier XRD results. Weak Raman peaks at 239, 267 and 336 $cm^{-1}$ appeared on 5wt% $CoO_x/TiO_2$ after calcination at $570^{\circ}C$ but not on the catalyst calcined at $450^{\circ}C$, and these peaks were observed for the $Co_nTiO_{n+2}$ compounds, particularly $CoTiO_3$. All samples of the two cobalt titanate possessed O ls XPS spectra comprised of strong peaks at $530.0{\pm}0.1$ eV with a shoulder at a 532.2-eV binding energy. The O ls structure at binding energies near 530.0 eV was shown for a sample of 5 wt% $CoO_x/TiO_2$, irrespective to calcination temperature. The noticeable difference between the catalyst calcined at 450 and $570^{\circ}C$ is the 532.2 eV shoulder which was indicative of the formation of the $Co_nTiO_{n+2}$ compounds in the catalyst. No long-life activity maintenance of the synthetic $Co_nTiO_{n+2}$ compounds for CO oxidation at $100^{\circ}C$ was a good vehicle to strongly sup port the reason why the supported $CoO_x$ catalyst after calcination at $570^{\circ}C$ had been practically inactive for the oxidation reaction in our previous study; consequently, the earlier proposed model for the $CO_3O_4$ nanoparticles existing with the catalyst following calcination at different temperatures is very consistent with the characterization results and activity measurements with the cobalt titanates.

• Journal of the Korean Magnetics Society
• /
• v.6 no.6
• /
• pp.405-410
• /
• 1996

Valence band photoemission spectroscopy (PES) measurements have been performed for $Co_{x}Pd_{100-x}$ alloy films using synchrotron radiation (x = 0, 25, 40, 65). Then the partial spectral weight distributions (PSW's) of Co 3d and Pd 4d electrons have been determined. The Co 3d PSW's exhibit some structures which are quite different from those of the Co film for x < 25 %, whereas they become very similar to those of the Co film for x > 40 %. For x < 25 %, the peak near the Fermi level ($E_F$) and a shoulder around 2 eV binding energy in the Co 3d PSW reflect large hybridization between Pd 4d and Co 3d electrons, suggesting that the hybridization might play an inportant role in determining perpendicualr magnetic anisotropy. The Pd 4d PSW's in Co-Pd alloy films are found to have larger FWHM's (full widths at half maximum), larger binding energies of the main peaks, and larger spectral intensities at $E_F$ than the PES spectrum of the Pd film. The FWHM of the Pd 4d PSW increases with decreasing Pd concentration, which are considered to reflect the disordering effect in the alloy formation or the change in the Pd 4d electronic structure due to hybridization between Co 3d and Pd 4d electrons.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.4
• /
• pp.581-588
• /
• 2007

To enhance the photodecomposition of concentrated ammonia into N2, Pt/V-TiO2 photocatalysts were prepared using solvothermal and impregnation methods. Nanometer-sized particles of 0.1, 0.5 and 1.0 mol% V-TiO2 were prepared solvothermally, and then impregnated with 1.0 wt% Pt. The X-ray diffraction (XRD) peaks assigned to V2O5 at 30.20 (010) and Pt metal at 39.80 (111) and 46.20 (200) were seen in the 1.0 wt% Pt/ 10.0 mol% V-TiO2. The particle size increased in the order: pure TiO2, V-TiO2 and Pt/V-TiO2 after thermal treatment at 500 °C, while their surface areas were in the reverse order. On X-ray photoelectron spectroscopy (XPS), the bands assigned to the Ti2p3/2 and Ti2p1/2 of Ti4+-O were seen in all the photocatalysts, and the binding energies increased in the order: TiO2 < Pt/V-TiO2 < V-TiO2. The XPS bands assigned to the V2p3/2 (517.85, 519.35, and 520.55 eV) and V2p1/2 (524.90 eV) in the V3+, V4+ and V5+ oxides appeared over V-TiO2, respectively, while the band shifted to a lower binding energy with Pt impregnation. The Pt components of Pt/ V-TiO2 were identified at 71.60, 73.80, 75.00 and 76.90 eV, which were assigned to metallic Pt 4f7/2, PtO 4f7/2, PtO2 4f7/2, and PtO 4f5/2, respectively. The UV-visible absorption band shifted closer towards the visible region of the spectrum in V-TiO2 than in pure TiO2 and; surprisingly, the Pt/V-TiO2 absorbed at all wavelengths from 200 to 800 nm. The addition of vanadium generated a new acid site in the framework of TiO2, and the medium acidic site increased with Pt impregnation. The NH3 decomposition increased with the amount of vanadium compared to pure TiO2, and was enhanced with Pt impregnation. NH3 decomposition of 100% was attained over 1.0 wt% Pt/1.0 mol% V-TiO2 after 80 min under illumination with 365 nm light, although about 10% of the ammonia was converted into undesirable NO2 and NO. Various intermediates, such as NO2, -NH2, -NH and NO, were also identified in the Fourier transform infrared (FT-IR) spectra. From the gas chromatography (GC), FT-IR and GC/mass spectroscopy (GC/MS) analyses, partially oxidized NO and NO2 were found to predominate over V-TiO2 and pure TiO2, respectively, while both molecules were reduced over Pt/V-TiO2.

• Journal of Ginseng Research
• /
• v.47 no.6
• /
• pp.714-725
• /
• 2023

Background: Our previous investigation indicated that the preparation of Panax ginseng Meyer (P. ginseng) inhibited melanogenesis. It comprised salicylic acid (SA), protocatechuic acid (PA), p-coumaric acid (p-CA), vanillic acid (VA), and caffeic acid (CA). In this investigation, the regulatory effects of P. ginseng phenolic acid monomers on melanin production were assessed. Methods: In vitro and in vivo impact of phenolic acid monomers were assessed. Results: SA, PA, p-CA and VA inhibited tyrosinase (TYR) to reduce melanin production, whereas CA had the opposite effects. SA, PA, p-CA and VA significantly downregulated the melanocortin 1 receptor (MC1R), cycle AMP (cAMP), protein kinase A (PKA), cycle AMP-response element-binding protein (CREB), microphthalmia-associated transcription factor (MITF) pathway, reducing mRNA and protein levels of TYR, tyrosinase-related protein 1 (TYRP1), and TYRP2. Moreover, CA treatment enhanced the cAMP, PKA, and CREB pathways to promote MITF mRNA level and phosphorylation. It also alleviated MITF protein level in α-MSH-stimulated B16F10 cells, comparable to untreated B16F10, increasing the expression of phosphorylation glycogen synthase kinase 3β (p-GSK3β), β-catenin, p-ERK/ERK, and p-p38/p38. Furthermore, the GSK3β inhibitor promoted p-GSK3β and p-MITF expression, as observed in CA-treated cells. Moreover, p38 and ERK inhibitors inhibited CA-stimulated p-p38/p38, p-ERK/ERK, and p-MITF increase, which had negative binding energies with MC1R, as depicted by molecular docking. Conclusion: P. ginseng roots' phenolic acid monomers can safely inhibit melanin production by bidirectionally regulating melanin synthase transcription. Furthermore, they reduced MITF expression via MC1R/cAMP/PKA signaling pathway and enhanced MITF post-translational modification via Wnt/mitogen-activated protein kinase signaling pathway.

• 한국신재생에너지학회:학술대회논문집
• /
• 2010.11a
• /
• pp.113.2-113.2
• /
• 2010

We report that the novel covalent organic frameworks (COFs) are capable of reversibly providing an extremely high uptake capacity of carbon dioxide and hydrogen at room temperature. These COFs are designed based on the multiscale simulations approach via the combination of ab initio calculations and force-field calculations. For this goal, we explore the adsorption sites of carbon dioxide and hydrogen on COFs, their porosity, as well as carbon dioxide adsorption isotherms. We identify the binding sites and energies of $CO_2$ on COFs using ab initio calculations and obtain the carbon dioxide adsorption isotherms using grand canonical ensemble Monte Carlo calculations. Moreover, the calculated adsorption isotherms are compared with the experimental values in order to build the reference model in describing the interactions between the $CO_2/H_2$ and the COFs and in predicting the $CO_2$ and $H_2$ adsorption isotherms of COFs. Finally, we design three new COFs, 2D COF-05, 3D COF-05 (ctn), and 3D COF-05 (bor), for the high capacity $CO_2/H_2$ and $H_2$ storage.

• Journal of the Korean institute of surface engineering
• /
• v.50 no.3
• /
• pp.219-224
• /
• 2017

The K gettering in $SiO_2/PSG/SiO_2/Al-1%Si$ multilevel thin films was investigated using SIMS(secondary ion mass spectrometry) and XPS(X-ray Photoelectron Spectroscopy) analysis. DC magnetron sputter techniques and APCVD(atmosphere pressure chemical vapor deposition) were utilized for the deposition of Al-1%Si thin films and $SiO_2/PSG/SiO_2$ passivations, respectively. Heat treatment was carried out at $400^{\circ}C$ for 5 h in air. SIMS depth profiling was used to determine the distribution of K, Al, Si, P and other elements throughout the $SiO_2/PSG/SiO_2/Al-1%Si$ multilevel thin films. XPS was used to analyze binding energies of Si and P elements in PSG passivation layers. K peaks were observed throughout the $PSG/SiO_2$ passivation layers on the Al-1%Si thin films and especially at the $PSG/SiO_2$ interfaces. K gettering in $SiO_2/PSG/SiO_2/Al-1%Si$ multilevel thin films is considered to be caused by a segregation type of gettering. The chemical state of Si and P elements in PSG passivation appears to be $SiO_2$ and $P_2O_5$, respectively

• Proceedings of the Korean Vacuum Society Conference
• /
• 2015.08a
• /
• pp.122.1-122.1
• /
• 2015

The dependence of electronic properties and local structure of tantalum oxide thin film on oxygen deficiency have been investigated by means of X-ray photoelectron spectroscopy (XPS), Reflection Electron Energy Loss Spectroscopy (REELS), and X-ray absorption spectroscopy (XAS). The XPS results showed that the oxygen flow rate change results in the appearance of features in the Ta 4f at the binding energies of 23.2 eV, 24.4 eV, 25.8, and 27.3 eV whose peaks are attributed to Ta1+, Ta2+, Ta3+, Ta4+, and Ta5+, respectively. The presence of nonstoichiometric state from tantalum oxide (TaOx) thin films could be generated by the oxygen vacancies. The REELS spectra suggested the decrease of band gap for tantalum oxide thin films with increasing oxygen deficiency. In addition, XAS spectra manifested both the increase of coordination number of the first Ta-O shell and a considerable reduction of the Ta-O bond distance with the decrease of oxygen deficiency.

• Bulletin of the Korean Chemical Society
• /
• v.28 no.10
• /
• pp.1751-1755
• /
• 2007

The interaction of ammonium hydroxide (NH4OH) with zircaloy-4 (Zry-4) was investigated using X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES) methods. In order to study the surface chemistry of NH4OH/Zry-4 system, the binding energies of N1s, O1s and Zr3d electrons were monitored. The N1s peak intensity was remarkably increased by following cycles of Ar+ sputtering of NH4OH dosed Zry-4 surface at room temperature. Because the nitrogen stayed under the subsurface region was diffused out onto the Zry-4 surface after oxygen concentration was decreased. These could be occurred after the surface oxygen was diffused into the bulk or desorbed out from the surface until Ar+ fluence was 6.0 × 1016 Ar+/cm2 then the surface was relatively atomic deficient state. The O1s peak intensity was decreased by stepwise Ar+ sputtering. After many cycles of Ar+ sputtering, the peak intensities of Zr3d peaks did not change much but the shape of the peak clearly did change. This implies that the oxidation state of zirconium was changed during stepwise Ar+ sputtering of NH4OH/Zry-4. The Zr3d peak intensity of zirconium nitride (ZrNx) increased as the intensity of N1s (from zirconium nitride) increased but the Zr3d peak intensity of zirconium oxide (ZrOx) decreased due to the depopulation of the oxygen species on the surface region. We also observed that the peak intensity of Zr4+ was nearly same after Ar+ sputtering processes but the peak intensity of metallic zirconium increased compared to that of before the sputtering process was performed.