• Journal of the Korean Ceramic Society
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• v.49 no.5
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• pp.469-474
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• 2012

The crystallinity and phase ratio of anatase to rutile in $TiO_2$ were estimated by x-ray diffraction (XRD) and x-ray absorption spectroscopy (XAS). Traditionally, the structural characterization of $TiO_2$ powders has been carried out by XRD techniques, which are comparatively easy in use and analysis. However, materials with amorphous phase, nano-sized or nano-structured crystallinities cannot be fully characterized by XRD because XRD analysis has a limit for abnormal contributions of the nano-crystal such as the surface contribution. From the comparison with the experimental and calculated Ti K-edge XAS spectra, we found the possibility of efficient estimation in the crystalinites and the phase ratio of anatase to rutile for nano-sized $TiO_2$ mixture.

• Journal of the Korean Ceramic Society
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• v.22 no.3
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• pp.67-71
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• 1985

2.5~40$mu extrm{m}$ 영역에서 $XAs_2S_3-(1-X)GeS_2$ 유리의 적외선 흡수에 관하여 연구했다/ Lucovsky와 그의 연구팀이 제창한 ""분자모델""에 의하면 $8-20\mu\textrm{m}$ 영역에서 위의 유리물질의 multiphonon 흡수대는 고립된 각 분자의 기본진동대의 overtone 및 combination 과 같다. 그러므로 multiphonon 흡수영역에서 AsY3 와 GeY3의 기본진동수를 모두 가지고 있는 combination 대는 관찰되지 않고 또한 혼합된 $XAs_2S_3-(1-X)GeS_2$ 유리의 흡수계수는 순수한 $As_2Y_3$ 및 $GeY_2$ 유리의 흡수계수를 더한 것으로 표현된다. 실험에서 얻은 흡수계수는 이 분자모델로부터 예상되는 값과 잘 일치한다.값과 잘 일치한다.

• Korean Journal of Mineralogy and Petrology
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• v.34 no.2
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• pp.121-131
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• 2021

Magnesium (Mg) present in carbonate minerals as impurities has been used as a geochemical proxy to infer the environmental conditions where the minerals precipitated. The reliability of Mg geochemical proxies requires fundamental understanding of Mg incorporation into minerals based on accurate speciation of Mg ²⁺ in the crystal structure, which is determined mainly by application of X-ray absorption spectroscopy (XAS). However, high uncertainties are involved in interpreting the XAS spectra of minerals containing trace amount of Mg ²⁺. Because density function theory (DFT) can predict an XAS spectrum for a crystal structure, DFT calculations can reduce the uncertainties in the interpretation of the XAS spectrum. In this study, we calculated ab initio Mg K-edge absorption spectra of Mg silicates and (hydr)oxides based on DFT and analyzed the correlation between the calculated spectra and Mg structural parameters. Our ab initio Mg K-edge absorption spectra well reproduced the key features of the experimental spectra. The absorption-edge positions of the calculated spectra showed the weak positive correlation with the average Mg-O bond distance or Mg effective coordination number. The current study shows that DFT-based core-level spectroscopy method is a powerful tool in providing standard Mg K-edge spectra of diverse Mg minerals and determining the Mg chemical species within carbonate minerals.

• Journal of the Korean Chemical Society
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• v.50 no.4
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• pp.315-320
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• 2006

manganese oxides have been prepared by Chimie Douce redox reaction between permanganate and chalcogen element fine powder under acidic condition (pH = 1). According to powder X-ray diffraction analyses, the S- and Se-doped manganese oxides are crystallized with layered birnessite and tunnel-type -MnO2 structures, respectively. On the contrary, Te-doped compound was found to be X-ray amorphous. According to EDS analyses, these compounds contain chalcogen dopants with the ratio of chalcogen/manganese = 4-7%. We have investigated the chemical bonding character of these materials with X-ray absorption spectroscopic (XAS) analysis. Mn K-edge XAS results clearly demonstrated that the manganese ions are stabilized in octahedral symmetry with the mixed oxidation states of +3/+4. On the other hand, according to Se K- and Te L1-edge XAS results, selenium and tellurium elements have the high oxidation states of +6, which is surely due to the oxidation of neutral chalcogen element by the strong oxidant permanganate ion. Taking into account their crystal structures and Mn oxidation states, the obtained manganese oxides are expected to be applicable as electrode materials for lithium secondary batteries.

• Proceedings of the Materials Research Society of Korea Conference
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• 2005.05a
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• pp.227-227
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• 2005

• Journal of IKEEE
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• v.17 no.4
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• pp.525-530
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• 2013

The BPEL is standard of workflow. A domain experts not familiar with programming languages and he can write workflow. But he need new function without BPEL. We must develop or modify a BPEL engine for new functions. This method is expensive. In this paper, We propose the XAS4B documents that extend the XML schema. And We describe method that can process new function in BPEL using Aspect-Oriented Programming. AOP can cross-cut concern adding to core concern using weaving without modification. We use an existing B2J (BPEL to JAVA) engine that is transfer a BPEL's document to a JAVA program and B2J execute a JAVA program. This system adding new functions to BPEL's flow using AOP. In this system, A JAVA program is core concern and a program of new function is cross-cut concern. And this system weave a JAVA program made in B2J and a program of new function. This method provide abstract grammar for new functions. And domain experts can easily write new function is a BPEL Document and reuse new function using abstract grammar.

• Journal of Magnetics
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• v.8 no.4
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• pp.142-145
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• 2003

Valence states and electronic structures of Cr-doped $Nd_{1/2}A_{1/2}Mn_{1-y}Cr_{y}O_3$(NAMO; A=Ca, Sr) manganites have been investigated using x-ray absorption spectroscopy (XAS) and high-resolution photoemission spectroscopy (PES). All the Cr-doped NAMO systems exhibit the clear metallic Fermi edges in the Mn $e_{g}$ PES spectra near $E_{F}$. The spectral intensity at $E_{F}$ is higher for Cr-doped N $d_{l}$ 2/S $r_{l}$ 2/Mn $O_3$(NSMO) than for Cr-doped N $d_{l}$ 2/C $a_{l}$ 2/Mn $O_3$ (NCMO), reflecting the stronger metallic nature for NSMO than for NCMO. The measured Cr 2p XAS spectra are found to be very similar to that of C $r_2$ $O_3$, indicating that Cr ions in Cr-doped NAMO are in the trivalent C states ( $t^3$$_{2g}$). The Cr 2p XAS data are consistent with the Cr 3d PES spectra located at ∼1.3 eV below $E_{F}$ and having no emission near $E_{F}$.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.171-171
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• 2011

Co and Fe doped multi-wall carbon nano-tubes (MWCNTs) synthesized by microwave plasma enhanced chemical vapor deposition (PECVD) technique are investigated with synchrotron radiations at Pohang Light Source (PAL) and European Synchrotron Radiation Facility (ESRF). Near edge x-ray absorption spectroscopy (NEXAFS) measurement at C K, Co $L_{3,2}$ and Fe $L_{3,2}$-edges, and x-ray magnetic circular dichroism (XMCD) at Co and Fe $L_{3,2}$-edges have been carried at 7B1 XAS KIST and 2A MS beamline, respectively, to understand the electronic structure and responsible magnetic interactions at room temperature. X-ray absorption spectroscopy (XAS) at C K-edge shows significant p-bonding and Co and Fe L-edges proves the presence of $Co^{2+}$ and $Fe^{2+}$ in octahedral symmetry. Co and Fe doped MWCNTs show good XMCD spectra at 300K. The effect on the magnetism is also studied through swift heavy ion (SHI) radiations and magnetism is found enhanced and change in the electronic structure in Co-CNTs is investigated.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.08a
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• pp.393-393
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• 2011

We investigated the electronic structures of a poly sodium 4-styrensulfonate intercalated graphite oxide (PSSGO) electrode and a precursor graphite oxide (GO) electrode using X-ray absorption spectroscopy (XAS). Both electrodes were obtained from electrochemical cells. We found that in the C K-edge XAS spectra the ${\pi}^*$ state intensity originating from the sp2 hybridization of graphite decreases predominantly in the graphite oxide and PSSGO electrodes. This indicates that the negatively charged electrolyte ion (BF4-) is absorbed onto the electrodes and is transferred to the ${\pi}^*$ state of the both electrodes. The analysis of their F K-edge spectra reveals that more BF4- ions were found in the PSSGO electrode than in the graphite oxide electrode. This indicates that more electrolyte ions are absorbed in the PSSGO than in the graphite oxide electrode. We argue that this is the main reason why PSSGO cells have higher capacitance, higher energy density, and higher power density when compared to the graphite oxide cells. We also found that BF4- is the primary working ion that can be inserted into the interlayers of the PSSGO electrode.

• Current Applied Physics
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• v.18 no.11
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• pp.1190-1195
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• 2018

By employing soft X-ray magnetic circular dichroism (XMCD), soft X-ray absorption spectroscopy (XAS), and photoemission spectroscopy (PES), we have investigated the electronic structure of the candidate zero-moment half-metallic $Mn_3Ga$. We have studied the ball-milled and annealed $Mn_3Ga$ powder samples that exhibit nearly zero magnetization. Mn 2p XAS revealed that Mn ions in $Mn_3Ga$ are nearly divalent for both of the Mn ions having the locally octahedral symmetry and those having the locally tetrahedral symmetry. The measured Mn 2p XMCD spectrum of $Mn_3Ga$ is very similar to that of ferrimagnetic $MnFe_2O_4$ having divalent Mn ions. The sum-rule analysis of the Mn 2p XMCD spectrum shows that both the spin and orbital magnetic moments of Mn ions in $Mn_3Ga$ are negligibly small, in agreement with the nearly compensated-ferrimagnetic ground state of $Mn_3Ga$. The valence-band PES spectrum of $Mn_3Ga$ agrees well with the calculated density of states, supporting the half-metallic electronic structure of $Mn_3Ga$.