• 제목/요약/키워드: chemical states

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Multichannel Quantum Defect Theory Analysis of Overlapping Resonance Structures in Lu-Fano Plots of Rare Gas Spectra

  • Lee, Chun-Woo;Kong, Ja-Hyun
    • Bulletin of the Korean Chemical Society
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    • 제30권8호
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    • pp.1783-1792
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    • 2009
  • Although overlapping resonances have been studied extensively in conventional resonance theories, there have not been many studies on them in multichannel quantum defect theories (MQDT). In MQDT, overlapping resonances occur between the channels instead of states, which pose far greater difficulty. Their systematic treatment was obtained for cases involving degenerate closed channels by applying our previous theory, which decouples background scattering from the resonance scattering in the MQDT formulation. The use of mathematical theory on con-diagonalization and con-similarity was essential for handling the non-Hermitian symmetric complex matrix. Overlapping resonances in rare gas spectra of Ar, Kr and Xe were analyzed using this theory and the results were compared with the ones of the previous alternative parameterizations of MQDT which make the open-open part $K^{oo}$ and closed-closed part $K^{cc}$ of reactance submatrices zero. The comparison revealed that separation of background and resonance scatterings achieved in our formulation in a systematic way was not achieved in the representation of $K^{oo}\;=\;0\;and\;K^{cc}$ = 0 when overlapping resonances are present.

Heterocyclic Nonlinear Optical Chromophores Composed of Phenothiazine or Carbazole Donor and 2-Cyanomethylene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran Acceptor

  • Cho, Min-Ju;Kim, Ja-Youn;Kim, Jae-Hong;Lee, Seung-Hwan;Dalton, Larry R.;Choi, Dong-Hoon
    • Bulletin of the Korean Chemical Society
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    • 제26권1호
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    • pp.77-84
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    • 2005
  • We prepared the new nonlinear optical chromophores that show fairly high microscopic nonlinearity through intramolecular charge transfer. Phenothiazine and carbazole units played an important role to contribute high electron donability and connect the resonance pathway via conjugative effect in the cyclized ring beside the aromatic ring. Theoretical calculation, electrochemical analysis, and absorption spectroscopic study gave us useful information about the energy states and microscopic nonlinearities of two serial chromophores. We compared the microscopic nonlinearities of four chromophores with the conjugation length and electron donability in the push-pull type NLO chromophores. The effect of gradient donability and lengthening the conjugation were investigated on the electronic state and microscopic nonlinearity.

역광전자분광기의 제작 및 그 응용 (Construction of Inverse Photoemission Spectrometer and Its Application)

  • 김정원;김세훈
    • 대한화학회지
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    • 제40권12호
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    • pp.719-723
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    • 1996
  • 고체표면의 비점유 전자에너지 상태를 연구하고자 역광전자분광기를 제작하고 시험하였다. 이 분광기는 초고진공 챔버속에 전자총과 광검출기로 구성되어 있다. 전자총은 궤도 시뮬레이션과 전류 측정을 통해 좋은 집속도와 높은 전류밀도를 가지고 있음을 알 수 있었다. 이 분광기의 전체적인 분해능은 0.74 eV이고, 광검출기의 감도는 약 10 counts/$sec{\cdot}{\mu}A$이다. 하나의 결과로서 Ge(111) 시료의 역광전자분광 스펙트럼은 이론적인 계산결과와 잘 일치하였다.

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Transport Properties of Polypyrrole Films Doped with Sulphonic Acids

  • Basavaraja, C.;Kim, Na-Ri;Jo, Eun-Ae;Pierson, R.;Huh, Do-Sung;Venkataraman, A.
    • Bulletin of the Korean Chemical Society
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    • 제30권11호
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    • pp.2701-2706
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    • 2009
  • The polymer blends containing polypyrrole (PPy) and the sulphonic acids such as β-naphthalene sulfonic acid (NSA), camphor sulfonic acid (CSA), and dodecylbenzenesulfonic acid (DBSA) were synthesized by in situ deposition technique in an aqueous media using ammonium per sulfate (APS) as an initiator. The obtained films were characterized by scanning electron microscopy (SEM), and the thermal behavior of these polymer blends was analyzed by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The temperature-dependent (DC) conductivity of the obtained films shows a semiconducting behavior with a negative temperature coefficient of resistivity (TCR). The conductivity data were also analyzed through Mott’s equation, which provides the variable range hopping model in three dimensions. The parameters such as density of states at the Fermi energy, hopping energy, and hopping distance were calculated for PPy, PPy-NSA, PPy-CSA, and PPy-DBSA films, and the data were compared.

Synthesis and Characterization of Zn(1-x)NixAl2O4 Spinels as a New Heterogeneous Catalyst of Biginelli's Reaction

  • Akika, Fatima-Zohra;Kihal, Nadjib;Habila, Tahir;Avramova, Ivalina;Suzer, Sefik;Pirotte, Bernard;Khelili, Smail
    • Bulletin of the Korean Chemical Society
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    • 제34권5호
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    • pp.1445-1453
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    • 2013
  • $Zn_{(1-x)}Ni_xAl_2O_4$ (x = 0.0-1.0) spinels were prepared at $800^{\circ}C$ by co-precipitation method and characterized by infrared spectroscopy, X-ray diffraction, scanning electron microscopy and X-ray photoelectron spectroscopy. The specific surface area was determined by BET. SEM image showed nano sized spherical particles. XPS confirmed the valence states of the metals, showing moderate Lewis character for the surface of materials. The powders were successfully used as new heterogeneous catalysts of Biginelli's reaction, a one-pot three-component reaction, leading to some dihydropyrimidinones (DHPMs). These new catalysts that produced good yields of DHPMs, were easily recovered by simple filtration and subsequently reused with persistent activity, and they are non-toxic and environmentally friendly. The optimum amount of catalyst is 20% by weight of benzaldehyde derivatives, while the doping amount has been found optimal for x = 0.1.

점전하 모형에 의한 10Dq 에서의 배치간 작용의 영향 (The Effect of the Configuration Interaction on 10Dq in a Point Charge Model)

  • 김호징;이덕환
    • 대한화학회지
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    • 제21권1호
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    • pp.23-31
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    • 1977
  • Octahedral symmetry 를 지닌 리간드에 의한 영향 아래있는 하나의 d전자를 갖는 금속 착물을 대상으로, 결정장 분리계수 10Dq를 결정장이론에 의하여 이론적으로 계산하였다. 점전하 모형을 쓰되, Shull-Lowdin 함수를 사용하여 배치간 작용을 고려하고, Integral Hellmann-Feynman Theorem을 써서 고차섭동의 영향을 추출하였다. 고차섭동의 영향이 일차섭동의 약 $50{\%}$가 됨을 알았다. Octahedral potential에 의해 3d 함수의 각 성분의 변화가 없고, $E_g\;와\;T_{2g}$상태에서, 동경성분의 변화가 일정하므로 10Dq는 유일한 파라미터로 남을 것이라는 결론을 얻었다.

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네자리 Schiff Base 리간드의 몰리브덴착물에 관한 연구 (제1보) (Studies on the Molybdenum Complexes with Tetradentate Schiff Base Ligand (I). N,N'-bis (Salicylaldehyde)-ethylene Diimine)

  • 조기형
    • 대한화학회지
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    • 제18권4호
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    • pp.267-271
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    • 1974
  • 네자리 schiff base 리간드로서 N,N-비스(살리실알데히드)에틸렌디이민과 Mo(IV), Mo(V), Mo(VI) 및 Mo(III)의 각 산화상태인 몰리브덴이온들과의 반응으로서 새로운 착물$[MoO_2(C_{16}H_{14}O_2-N_2)], [MoO(C_{16}H_{14}O_2N_2)]_2O, (Mo(SCN)(C_{16}H_{14}O_2N_2)]_2O$들을 합성하였다. 이들 착물들은 리간드와 몰리브덴의 몰비가 1:1이며, 6배위의 가상적인 구조로 주어짐을 원소 분석치와 가시부 및 적외선 흡수스펙트럼, T.G.A., D.T.A. 및 X-ray 회절의 고찰로서 알아보았다.

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임상가를 위한 특집 1 - 우식위험도평가에 근거한 한국형 치아우식증 관리 모델 (Korean Caries Management by Risk Assessment (K-CAMBRA))

  • 김백일
    • 대한치과의사협회지
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    • 제52권8호
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    • pp.456-463
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    • 2014
  • Caries Management by Risk Assessment (CAMBRA), published by California Dental Association in 2003, is a customized caries care system that classifies individuals' caries risk into 4 risk groups based on objective evidences and provides chemical treatments targeted for each caries risk level. However, this system was not only developed but also optimized for situation in the United States, resulting into many limitations to be used in Korea, and thus Korean CAMBRA (K-CAMBRA) that considers the clinical situation in Korea needs to be developed. K-CAMBRA includes various techniques that are newly developed in order to overcome the limitations. First, Q-ray, a new optical technology, is utilized in order to avoid the subjectivity of visual inspection during assessment of disease indicators and risk factors. Moreover, Cariview? that reflects the paradigm shift in cariology as a new form of caries assessment kit is used. In addition, considering the situation in Korea, where it is impossible to use high concentration fluoride product, Oral pack with a customized tray is added to increase the contact time of chemical substance. CAMBRA is believed to be the key clinical tool that overcomes the limitations of the paradigm of the conventional restoration-based surgical model of dentistry. Furthermore, it can be expected that Korean dentists can act as oral physicians who are able to control and care individuals' caries risk rather than operative experts who only care about the outcome of caries.

Dry Etching Properties of TiO2 Thin Film Using Inductively Coupled Plasma for Resistive Random Access Memory Application

  • Joo, Young-Hee;Woo, Jong-Chang;Kim, Chang-Il
    • Transactions on Electrical and Electronic Materials
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    • 제13권3호
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    • pp.144-148
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    • 2012
  • In this work, we investigated to the etching characteristics of $TiO_2$ thin film and the selectivity using the inductively coupled plasma system. The etch rate and the selectivity were obtained with various gas mixing ratios. The maximum etch rate of $TiO_2$ thin film was 61.6 nm/min. The selectivity of $TiO_2$ to TiN, and $TiO_2$ to $SiO_2$ were obtained as 2.13 and 1.39, respectively. The etching process conditions are 400 W for RF power, -150 V for DC-bias voltage, 2 Pa for the process pressure, and $40^{\circ}C$ for substrate temperature. The chemical states of the etched surfaces were investigated with X-ray photoelectron spectroscopy (XPS). Its analysis showed that the etching mechanism was based on the physical and chemical pathways in the ion-assisted physical reaction.

Optical characteristics of p-type ZnO epilayers doped with Sb by metalorganic chemical vapor deposition

  • Kwon, B.J.;Cho, Y.H.;Choi, Y.S.;Park, S.J.
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2009년도 제38회 동계학술대회 초록집
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    • pp.122-122
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    • 2010
  • ZnO is a widely investigated material for the blue and ultraviolet solid-state emitters and detectors. It has been promoted due to a wide-band gap semiconductor which has large exciton binding energy of 60 meV, chemical stability and low radiation damage. However, there are many problems to be solved for the growth of p-type ZnO for practical device applications. Many researchers have made an efforts to achieve p-type conductivity using group-V element of N, P, As, and Sb. In this letter, we have studied the optical characteristics of the antimony-doped ZnO (ZnO:Sb) thin films by means of photoluminescence (PL), PL excitation, temperature-dependent PL, and time-resolved PL techniques. We observed donor-to-acceptor-pair transition at about 3.24 eV with its phonon replicas with a periodic spacing of about 72 meV in the PL spectra of antimony-doped ZnO (ZnO:Sb) thin films at 12 K. We also investigate thermal activation energy and carrier recombination lifetime for the samples. Our result reflects that the antimony doping can generate shallow acceptor states, leading to a good p-type conductivity in ZnO.

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