• 제목/요약/키워드: Defect chemistry

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Decoupling of Background and Resonance Scatterings in Multichannel Quantum Defect Theory and Extraction of Dynamic Parameters from Lu-Fano Plot

  • Lee, Chun-Woo
    • Bulletin of the Korean Chemical Society
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    • 제30권4호
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    • pp.891-896
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    • 2009
  • Giusti-Suzor and Fano introduced translations of the scales of Lu-Fano plots by phase renormalization in order to decouple the intra- and inter-channel couplings in multichannel quantum defect theory (MQDT). Their theory was further developed by others to deal with systems involving a larger number of channels. In different directions, MQDT was reformulated into forms with a one-to-one correspondence to those in Fano's configuration mixing theory of resonance for photofragmentation processes involving one closed and many open channels. In this study, the theory was further developed to fully reveal the coupling nature, decoupling of the background and resonance scattering in physical scattering matrices as well as to further extract the dynamic parameters undiscovered by Fano and his colleagues. This theory was applied to the photoabsorption spectrum of $H_2$ observed by Herzberg's group.

Electrical Conductivity of the Solid Solutions X $ZrO_2+ (1-X) Yb_2O_3; 0.01{\leq}X{\leq}0.09$

  • Choi Byoung Ki;Jang Joon Ho;Kim, Seong Han;Kim, Hong Seok;Park, Jong Sik;Kim Yoo Young;Kim, Don;Lee Sung Han;Yo Chul Hyun;Kim Keu Hong
    • Bulletin of the Korean Chemical Society
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    • 제13권3호
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    • pp.248-252
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    • 1992
  • $ZrO_2-dopedYb_2O_3solid$ solutions containing 1, 3, 5, 7 and 9 mol% $ZrO_2were$ synthesized from spectroscopically pure $Yb_2O_3$ and $ZrO_2$ powders and found to be rare earth C-type structure by XRD technique. Electrical conductivities were measured as a function of temperatures from 700 to $1050^{\circ}C$ and oxygen partial pressures from 1${\times}$$10^-5$ to 2${\times}$ $10^-1$atm. The electrical conductivities depend simply on temperature and the activation energies are determined to be 1.56-1.68 $_eV$. The oxygen partial pressure dependence of the electrical conductivity shows that the conductivity increases with increasing oxygen partial pressure, indicating p-type semiconductor. The $PO_2$ dependence of the system is nearly power of 1/4. It is suggested from the linearity of the temperature dependence of electrical conductivity and only one value of 1/n that the solid solutions of the system have single conduction mechanism. From these results, it is concluded that the main defects of the system are negatively doubly charged oxygen interstitial in low. $ZrO_2doping$ level and negatively triply charged cation vacancy in high doping level and the electrical conduction is due to the electronic hole formed by the defect structure.

Synthesis of Highly Dispersed and Conductive Graphene Sheets by Exfoliation of Preheated Graphite in a Sealed Bath and its Applications to Polyimide Nanocomposites

  • Hossain, Muhammad Mohsin;Hahn, Jae Ryang;Ku, Bon-Cheol
    • Bulletin of the Korean Chemical Society
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    • 제35권7호
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    • pp.2049-2056
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    • 2014
  • A simple method for exfoliating pristine graphite to yield mono-, bi-, and multi-layers of graphene sheets as a highly concentrated (5.25 mg/mL) and yielded solution in an organic solvent was developed. Pre-thermal treatment of pristine graphite at $900^{\circ}C$ in a sealed stainless steel bath under high pressures, followed by sonication in 1-methyl-2-pyrrolidinone solvent at elevated temperatures, produced a homogeneous, well-dispersed, and non-oxidized graphene solution with a low defect density. The electrical conductivities of the graphene sheets were very high, up to 848 S/cm. These graphene sheets were used to fabricate graphene-polyimide nanocomposites, which displayed a higher electrical conductivity (1.37 S/m) with an improved tensile strength (95 MPa). The synthesized graphene sheets and nanocomposites were characterized by transmission electron microscopy, scanning electron microscopy, atomic force microscopy, X-ray photoelectron spectroscopy, and Raman spectroscopy.

Data Interpretation Methods for Petroleomics

  • Islam, Annana;Cho, Yun-Ju;Ahmed, Arif;Kim, Sung-Hwan
    • Mass Spectrometry Letters
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    • 제3권3호
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    • pp.63-67
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    • 2012
  • The need of heavy and unconventional crude oil as an energy source is increasing day by day, so does the importance of petroleomics: the pursuit of detailed knowledge of heavy crude oil. Crude oil needs techniques with ultra-high resolving capabilities to resolve its complex characteristics. Therefore, ultra-high resolution mass spectrometry represented by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has been successfully applied to the study of heavy and unconventional crude oils. The analysis of crude oil with high resolution mass spectrometry (FT-ICR MS) has pushed analysis to the limits of instrumental and methodological capabilities. Each high-resolution mass spectrum of crude oil may routinely contain over 50,000 peaks. To visualize and effectively study the large amount of data sets is not trivial. Therefore, data processing and visualization methods such as Kendrick mass defect and van Krevelen analyses and statistical analyses have played an important role. In this regard, it will not be an overstatement to say that the success of FT-ICR MS to the study of crude oil has been critically dependent on data processing methods. Therefore, this review offers introduction to peotroleomic data interpretation methods.

Nonstoichiometry of the Terbium Oxide

  • Yo Chul Hyun;Ryu Kwang Sun;Lee, Eun Seok;Kim Keu Hong
    • Bulletin of the Korean Chemical Society
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    • 제15권1호
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    • pp.33-36
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    • 1994
  • The x values of nonstoichiometric chemical formula, $Tb_4O_{7-{\delta}}\;or\;TbO_{1.5+x}$, have been determined in temperature range from 600$^{\circ}$C to 1000$^{\circ}$C under oxygen partial pressure of 2 ${\times}$ 10$^{-1}$ to 1 ${\times}$ 10$^{-5}$ atm by using quartz microbalance. The x values varied from 0.0478 to 0.1964 in the above conditions. The enthalpy of formation for x' in TbO$_{1.5+(0.25-xo-x')}$, ${\delta}H_f$, was 4.93-3.40 kcal mol$^{-1}$ and the oxygen partial pressure dependence was -1/8.80∼-1/11.8 under these conditions. The electrical conductivity of the $TbO_{1.5+x}$ was measured under the same conditions and the values varied from about 10$^{-3}$ to 10$^{-6}\;{\Omega}^{-1}cm^{-1}$ within semiconductor range. The activation energies for the conduction increase with oxygen partial pressure from 0.83 to 0.89 eV under the above conditions. The l/n values obtained from the oxygen pressure dependence of the conductivity are 1/4.4-1/5.2. The conduction mechanism, defect structure, and other physical properties of the oxides are dicussed with the x values, the electrical conductivity values, and the thermodynamic data.

산화이트륨의 결함구조 및 전기전도 메카니즘 (Defect Structure and Electrical Conduction Mechanism of Yttrium Sesquioxide)

  • 김규홍;박성호;최재시
    • 대한화학회지
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    • 제28권3호
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    • pp.149-154
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    • 1984
  • 산화이트륨의 전기전도도를 $1 {\times}10^{-5}{\sim}2 {\times}10^{-1}$atm의 산소분압과 $650{\sim}1050^{\circ}$C 의 온도에서 산소분압 및 온도의 함수로 측정하였다. 일정한 산소분압에서 측정된 전기전도도 값을 온도의 역수에 대하여 도시한 결과, 온도 의존성이 적은 영역과 큰 영역이 나타났으며, 온도 의존성이 큰 영역은 두 개의 각기 다른 결함구조를 보여주었다. 전기전도도의 산소분압 의존성은 $850{\sim}950^{\circ}C$ 에서 ${{\sigma}{\propto}Po_2}^{1/6},\;950{\sim}1050^{\circ}C$ 에서 ${{\sigma}{\propto}Po_2}^{3/16}$이며 $650{\sim}800^{\circ}C$에서 ${{\sigma}{\propto}Po_2}^{1/7.5}{\sim}{{\sigma}{\propto}Po_2}^{1/8.3}$이다. ${{\sigma}{\propto}Po_2}^{1/6}$인 영역에서의 detect는 $O_i{''}$${{\sigma}{\propto}Po_2}^{3/16}$인 영역에서의 detect는 $V_M{'''}$이다. 고온영역에서의 carrier type은 electron hole이며 저온영역에서는 이온성의 기여도가 있다.

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광촉매 활성이 우수한 판상형 ZnO 결정의 대용량 합성 (Large-Scale Synthesis of Plate-Type ZnO Crystal with High Photocatalytic Activity)

  • 김다정;김보미;조아라;심규동;한효원;노경현;장의순
    • 대한화학회지
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    • 제59권2호
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    • pp.148-155
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    • 2015
  • 결정핵-매개 소프트-용액 방법을 이용하여 판상형 ZnO 나노입자를 합성하였다. 합성된 판상형 ZnO 나노입자는 많은 결함이 존재하는 (0001)면이 발달하여 상업적인 ZnO 나노입자 보다 광촉매 특성이 우수하였다. 또한, 판상형 ZnO 나노입자의 세포독성이 실리카 코팅을 통해 감소함을 확인하였다. 마지막으로 판상형 ZnO를 합성하는데 필요한 성장용액의 다양한 시약 조건들을 변화시키면서 상업적인 적용이 가능한 수백 그램 스케일로 대량합성 하는데 처음으로 성공하였다.

Theoretical and Experimental Studies on the Kinetics of Cation Redistribution Processes in Complex Oxides

  • Shi, Jianmin;Becker, Klaus-Dieter
    • 한국세라믹학회지
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    • 제47권1호
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    • pp.39-46
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    • 2010
  • The kinetics of cation reequilibration have been studied theoretically and experimentally in complex oxides after an external perturbation of equilibrium by temperature jumps. A general kinetic model for cation redistribution amongst non-equivalent sites in complex oxides is derived based on a local homogeneous point defect mechanism involving cation vacancies. Temperature-jump optical relaxation spectroscopy has been established to investigate cation kinetic processes in spinels and olivines. The kinetic model satisfactorily describes the experimental absorbance relaxation kinetics in cobalt containing olivines and in nickel containing spinels. It is found that the kinetics of cation redistribution in complex oxides shows a strong temperature- and composition-dependence. Activation energies for cation redistribution in Co-Mg olivines are found to range between 200 and 220 kJ/mol whereas an energy barrier of about 230 kJ/mol is observed in the case of nickel gallate spinel.

Non-Adiabatic Flamelet Modeling for Combustion Processes of Oxy-Natural Gas Flame

  • Kim, Gun-Hong;Kim, Yong-Mo
    • Journal of Mechanical Science and Technology
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    • 제19권9호
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    • pp.1781-1789
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    • 2005
  • In order to realistically predict the combustion characteristics of the oxy-fuel flame, the present study employs the non-adiabatic flame let approach. In this combustion model, the detailed equilibrium chemistry is utilized to accurately account for the thermal dissociation as well as to properly include the radiative cooling effects on the detailed chemistry. Numerical results indicate that the present approach has the capability to correctly capture the essential features and precise structure of the oxy-fuel flames. In this work, the detailed discussion has been made for the characteristics of oxy-fuel flames, the capability and defect of the present approach and also uncertainties of experimental data.

OPTICAL CHARACTERISTICS OF POROUS SILICON CARBIDE BY PHOTOLUMINESCENCE SPECTROSCOPY

  • Lee, Ki-Hwan;Du, Ying-Lei;Lee, Tae-Ho
    • Journal of Photoscience
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    • 제6권4호
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    • pp.183-186
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    • 1999
  • We have been prepared the porous silicon carbide (PSC) by electrochemical etching of silicon carbide single crystals. Samples of PSC have been studied by the methods of scanning electron microscope (SEM) and photoluminescence (PL). Two PL bands attributed to the blue and green light emission were observed in this study. According to the anodization conditions, the main source of emission in the oxidized layers of PSC lies in the different surface defect centers which consist of different geometrical structures due to the polytypes. It means that origin of these PL bands may be existed in different size pores simultaneously. The present results indicate that the high energy band comes from the top porous layers while the low energy band comes from the lower porous layers.

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