• 공업화학
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• 제23권3호
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• pp.253-258
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• 2012

본 연구는 $Pd/TiO_2$ 촉매를 이용한 $CH_4$, CO 동시 산화반응에서 활성점 및 Pd의 산화 상태에 대한 영향을 조사하였다. Pd 함량이 증가할수록 Pd 종(PdO)의 결정성장을 야기시켜 $CH_4$ 산화반응 활성을 증진시켰다. 열처리를 통해 제조된 촉매표면의 Pd 산화상태에 따라 $CH_4$과 CO의 산화반응 활성이 상이한 결과를 나타내었다. XRD와 $H_2-TPR$ 분석으로 소성촉매는 $Pd^{2+}$종, 환원촉매는 $Pd^0$종이 우점하고 있음을 확인하였다. 또한, BET분석을 통해 촉매 활성인자인 비표면적 및 기공부피보다는 Pd의 산화상태가 촉매 활성에 미치는 중요한 인자임을 알 수 있었다. FT-IR 분석을 이용하여 Pd의 산화상태에 따른 $CH_4$과 CO의 반응 메커니즘을 확인할 수 있었다.

• 공업화학
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• 제31권4호
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• pp.368-376
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• 2020

본 연구에서는 SO₂를 제어하기 위한 산화 촉매에서 platinum (Pt)을 활성금속으로 하는 촉매의 반응특성에 관한 분석을 수행하였다. Titania (TiO₂) 지지체에 다양한 precursor 형태의 Pt를 사용하여 Pt/TiO₂ 촉매를 제조하여 실험에 사용하였다. Pt/TiO₂ 상의 Pt²⁺ 또는 Pt⁴⁺와 같은 Pt valence state에 따른 SO₂ 산화의 성능 차이는 나타나지 않으며, PtCl_x과 같은 Pt chloride species는 전체적으로 SO₂ 산화 성능을 감소시킨다. 또한, XPS 분석을 수행하여 SO₂ 산화 반응 전/후의 촉매상의 valence state를 분석한 결과 SO₂ 산화반응 이후 lattice oxygen의 감소 및 surface chemisorbed oxygen의 증가를 확인할 수 있다. 따라서 Pt/TiO₂ 촉매의 SO₂의 산화 반응은 PtOx에 해당하는 lattice oxygen의 반응과 oxygen vacancy에 의한 산화-환원 반응이 진행되는 Mar-Van Krevelen 메커니즘이 주요한 SO₂ 산화 반응임을 판단할 수 있으며, 이러한 결과를 통하여 촉매 상에 존재하는 PtOx (Pt²⁺ 또는 Pt⁴⁺)의 oxygen species가 주요한 활성 site로 작용함을 확인할 수 있다.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2007년도 하계학술대회 논문집 Vol.8
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• pp.123-124
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• 2007

A silver indium sulfide ($AgInS_2$) epilayer was grown by the hot wall epitaxy method, which has not been reported in the liteniture. The grown $AgInS_2$ epilayer has found to be a chalcopyrite structure and evaluated to be high quality crystal. From the photocurrent measurement in the temperature range from 30 K to 300 K, the two peaks of A and B were only observed, whereas the three peaks of A, B, and C were seen in the PC spectrum of 10 K. These peaks are ascribed to the band-to-band transition. The valence band splitting of $AgInS_2$ was investigated by means of the photocurrent measurement. The temperature dependence of the energy band gap of the $AgInS_2$ obtained from the photocurrent spectrum was well described by the Varshni's relation, $E_g(T)=\;E_g(0)\;eV-(7.78\;{\times}\;10^{-4}\;eV/K)T^2/(T\;+\;116\;K\;K)$. Also, Eg(0) is the energy band gap at 0 K, which is estimated to be 2.036 eV at the valence band state A and 2.186 eV at the valence band state B.

• Bulletin of the Korean Chemical Society
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• 제12권5호
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• pp.574-582
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• 1991

The CO molecules adsorbed on Ni(111) surface is studied in the cluster approximation employing EH method with self-consistent charge iteration. The effect of CO coverage is simulated by allowing the variation of valence state ionization potentials of each Ni atom in model cluster according to the self-consistent charge iteration method. The CO coverage dependent C-O stretching frequency shift, adsorption site conversion, and metal work function change are attributed to the charge transfer between metal surface and adsorbate. For CO/Ni(111) system, net charge transfer from Ni surface to chemisorbed CO molecules makes surface Ni atoms be more positive with increasing coverage, and lowers Ni surface valence band. This leads to a weaker interaction between metal surface valence band and Co $2{\pi}^{\ast}$ MO, less charge transfer to a single CO molecule, and the bule shift of C-O stretching frequency. Further increase of coverage induces the conversion of 3-fold site CO to lower coordination site CO as well as the blue shift of C-O stretching frequency. This whole process is accompanied by the continuous increase of metal work function.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2011년도 제40회 동계학술대회 초록집
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• pp.321-321
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• 2011

We have investigated the electronic structure of graphite oxide by photoelectron spectroscopy at the Pohang Accelerator Laboratory, Korea. The typical sp2 hybridization states found in graphite were also seen in graphite oxide. However, the ${\pi}$ state disappeared near the Fermi level because of bonding between the ${\pi}$ and oxygen-related states originating from graphite oxide, indicating electron transfer from graphite to oxygen and resulting in a downward shift of the highest occupied molecular orbital (HOMO) state to higher binding energies. The band gap opening increased to about 1.8 eV, and additional oxygen-related peaks were observed at 8.5 and 27 eV.

• KSII Transactions on Internet and Information Systems (TIIS)
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• 제8권6호
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• pp.2056-2069
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• 2014

In order to implement interactive and personalized Web services properly, it is necessary to understand the tangible and intangible responses of the users and to recognize their emotional states. Recently, some studies have attempted to build emotional state estimation models based on facial expressions. Most of these studies have applied multiple regression analysis (MRA), artificial neural network (ANN), and support vector regression (SVR) as the prediction algorithm, but the prediction accuracies have been relatively low. In order to improve the prediction performance of the emotion prediction model, we propose a novel SVR model that is optimized using a genetic algorithm (GA). Our proposed algorithm-GASVR-is designed to optimize the kernel parameters and the feature subsets of SVRs in order to predict the levels of two aspects-valence and arousal-of the emotions of the users. In order to validate the usefulness of GASVR, we collected a real-world data set of facial responses and emotional states via a survey. We applied GASVR and other algorithms including MRA, ANN, and conventional SVR to the data set. Finally, we found that GASVR outperformed all of the comparative algorithms in the prediction of the valence and arousal levels.

• 한국원자력학회:학술대회논문집
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• 한국원자력학회 2002년도 추계학술발표회요약집
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• pp.319.2-319
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• 2002

Synchrotron-based X-ray absorption spectroscopy has been applied to determine the changes in bulk oxidation state of uranium oxides in molten salt. From an analysis of XANES data, one can determine the cahnges in bulk oxidation-state of U compounds in salts(LiCl/KCl). XAFS spectroscpy is a powerful tool for probing the changes in valence state and structure of uranium compounds in colten salt as well as in noncrystalline form and doped in other matrices.

• 대한화학회지
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• 제57권2호
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• pp.216-220
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• 2013

The hydroalumination of cyclopropane has been investigated using the B3LYP density functional method employing several split-valence basis sets. It is shown that the reaction proceeds via an intermediate weakly bound complex and a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported.

• Bulletin of the Korean Chemical Society
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• 제29권6호
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• pp.1115-1120
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• 2008

The adsorption of CO on W(110) surfaces was studied using thermal desorption spectroscopy (TDS), and core and valence level spectroscopy. At 120 K, CO forms a tilted structure at lower coverages ($\alpha$ 1), whereas it adsorbs normal to the surface at higher coverages ($\alpha$ 2). Tilted structures have been suggested to be precursors of dissociative chemisorption; however, experimental evidence is provided for the non-dissociative chemisorption of CO at temperatures above 900 K (which is referred to as the $\beta$ -state): TDS shows first order desorption kinetics. The core and valence level spectra of O/W(110) and those of $\beta$ -CO/W(110) are different. Most importantly, the 4$\sigma$ molecular orbital of CO can be identified in the valence level spectra of the $\beta$ -CO.

• Bulletin of the Korean Chemical Society
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• 제25권1호
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• pp.97-100
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• 2004

Tetragonal $K_2NiF_4$-type $La_{2-2x}Sr_{2x}Cu_{1-x}Fe_xO_{4-y}$ solid-solution have been synthesized by citrate based sol-gel method. The valence state of iron was determined by Mossbauer spectroscopy and subsequent iodometric titration clearly showed that the copper ions in this solid-solution are in the mixed valence state Cu(II/III). When x ${\geq}$ 0.3, Fe(III) is competing with the mixture of Cu(II) and Cu(III) and $La_{2-2x}Sr_{2x}Cu_{1-x}Fe_xO_{4-y}$ exhibits a metallic character. No evidence for Cu(II)-O-Fe(IV) ${\leftrightarrow}$ Cu(III)-O-Fe(III) valence degeneracy was observed. In contrast, a small amount of Fe(IV) is observed with increasing x (x = 0.4 and 0.5), revealing a semiconducting behavior. These results suggest that the electronic interaction of Cu(III)-O-Fe(III) contributes greatly to the metallic character, while the electronic interaction of Cu(II)-O-Fe(IV) deteriorates the metallic character of $La_{2-2x}Sr_{2x}Cu_{1-x}Fe_xO_{4-y}$.