• 제목/요약/키워드: Binding Energy

검색결과 771건 처리시간 0.024초

Synthesis and properties of indole based chemosensor

  • Lee, Jun-Hee;Wang, Sheng;Yu, Hyung-Wook;Kim, Hyung-Joo;Son, Young-A
    • 한국염색가공학회:학술대회논문집
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    • 한국염색가공학회 2011년도 제44차 학술발표회
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    • pp.36-36
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    • 2011
  • We synthesized new dye sensor based on indole compound. Through the UV-vis absorptions, we analyzed chemosensing properties to explain metal binding properties. The peak absorptions increased at 472 nm when added metal cations($Cd^{2+}$, $Cu^{2+}$, $Hg^{2+}$, $Fe^{2+}$, $Zn^{2+}$, $Ni^{2+}$ and $Cr^{3+}$) and gradually decreased the peak at 516 nm. Thus, this UV-Vis absorption behavior clearly showed the metal binding reaction. To measure energy level of used dye sensor, HOMO/LUMO energy value was calculated with cyclovaltagramm(CV) and using computational calculation method, in which we estimated the optimum structure of dye sensor. CV and computational calculation method, both compared to find suitable geometric structure. (with almost same energy values.) From the computational calculation, dye sensor has plane structure. So, Amine and ketone in the dye sensor faced each other and makes position to bind metal cations. In addition, these positions was supported pull-push electron system and generated MLCT process, when the dye sensor was bonded with the metal cations and resulted chemosensing properties. Through the electrochemical and computational calculation method analyze, we proposed the chemosensing principles that the dye sensor bind the metal cation between ketone and amine. Finally, the formation type of metal ion bindings was determined by Job's plot measurements.

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RF 마그네트론 스퍼터링 방법으로 증착된 CuS 박막의 구조적 및 광학적 특성에 대한 스퍼터링 전력의 영향 (Effect of Sputtering Power on Structural and Optical Properties of CuS Thin Films Deposited by RF Magnetron Sputtering Method)

  • 이상운;신동혁;손영국;손창식;황동현
    • Current Photovoltaic Research
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    • 제8권1호
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    • pp.27-32
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    • 2020
  • CuS thin films were deposited on glass substrates at room temperature by RF magnetron sputtering. The structural and optical properties of CuS thin films grown by varying RF-power from 40 W to 100 W were studied. From the XRD analysis, we confirmed hexagonal crystal structures grown in the preferred orientation of the (110) plane in all CuS thin films, and the intensity of the main diffraction peak increased in proportion to the increase of RF-power. In the case of CuS thin film deposited at 40W, small-sized particles formed a thin and dense surface morphology with narrow pore spacing, relatively. As the power increased, the grain size and grain boundary spacing increased sequentially. The peaks for the binding energy of Cu 2p3/2 and Cu 2p1/2 were determined at 932.1 eV and 952.0 eV, respectively. The difference in binding energy for the Cu2+ states was the same at 19.9 eV regardless of process parameters. The transmittance and band gap energy in the visible region tended to decrease with increasing sputtering powers.

민들조개(Gomphina melanaegis)에서 방사성 동위원소의 조직내 분포와 결합단백질에 관한 연구 (Tissue Distribution and Binding Proteins of Radionuclides in Bivalve, Gomphina melanaegis)

  • 유병선;정해원;이정호
    • Journal of Radiation Protection and Research
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    • 제10권2호
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    • pp.109-112
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    • 1985
  • 민들조개에 의해 흡수된 방사성 동위원소의 조직내 분포와 생화학적 거동을 알아 보기 위해 민들조개를 $^{65}Zn,\;^{54}Mn,\;^{137}Cs$ 용액에 7일간 노출시킨 후 조직을 잘라내서 방사능을 측정하고 간과 콩팥을 균질화시켜서 Sephadex G-75 유리판을 통한 젤투석 실험을 하였다. 방사성 동위원소의 조직내 분포는 방사성 동위원소에 따라 서로 다른 조직내 축적경향을 나타냈으며 특히 다른 조직에 비해 간과 콩팥에 아주 높게 농축되었다. 방사능이 농축된 간과 콩팥에서 방사성 동위원소와 결합하고 있는 단백질을 조사하기 위해서 간과 콩팥을 균질화시킨 상등액을 Sephadex G-75 column chromatography로 분리 한 결과 $^{65}Zn,\;^{54}Mn,\;^{137}Cs$가 서로 다른 유출 패턴을 나타냈고 또한 $^{65}Zn$$^{54}Mn$은 간과 콩팥에서 서로 다르게 유출되었다. 본 실험의 결과 방사성 동위원소의 종류와 조직에 따라서 결합하고 있는 단백질의 종류가 서로 다른 것을 알 수 있었다.

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산소 분압비에 따른 $TiO_2$ 박막의 특성평가 (The properties of $TiO_2$ thin films by oxygen partial pressure)

  • 양현훈;임정명;박중윤;정운조;박계춘
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2003년도 춘계학술대회 논문집 센서 박막재료 반도체 세라믹
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    • pp.154-157
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    • 2003
  • $TiO_2$ thin films were fabricated by RF magnetron sputtering system at by controlling deposition times, ratios of $Ar:O_2$ partial presser ratio and substrate conditions. And the surface, cross-section morphology, microstructure, and composition ratio of the films were analyzed by FE-SEM, TEM and XPS. Besides, the optical absorption and transmittance of the $TiO_2$ films were measured by a UV-VIS-NIR Spectrophotometer, and photocatalytic properties were studied by G${\cdot}$C Analyzer & Data Analysis system. As the result, when $TiO_2$ thin film was made at deposition time of 120[min] and $Ar:O_2$ ratio of 60:40, the best structural and optical properties among many thin films could be accepted. The best results of properties were as follows: thickness; 360~370[nm), grain size; 40[nm], gap between two peak binding energy; $5.8{\pm}0.05[eV]$ ($2_{p3/2}$ peak and $2_{p1/2}$ peak of Ti was show at $458.3{\pm}0.05[eV]$ and $464.1{\pm}0.05[eV]$ respectively), binding energy; $530{\pm}0.05[eV]$, optical energy band gap; 3.4[eV].

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Edge perturbation on electronic properties of boron nitride nanoribbons

  • K.L. Wong;K.W. Lai;M.W. Chuan;Y. Wong;A. Hamzah;S. Rusli;N.E. Alias;S. Mohamed Sultan;C.S. Lim;M.L.P. Tan
    • Advances in nano research
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    • 제15권5호
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    • pp.385-399
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    • 2023
  • Hexagonal boron nitride (h-BN), commonly referred to as Boron Nitride Nanoribbons (BNNRs), is an electrical insulator characterized by high thermal stability and a wide bandgap semiconductor property. This study delves into the electronic properties of two BNNR configurations: Armchair BNNRs (ABNNRs) and Zigzag BNNRs (ZBNNRs). Utilizing the nearest-neighbour tight-binding approach and numerical methods, the electronic properties of BNNRs were simulated. A simplifying assumption, the Hamiltonian matrix is used to compute the electronic properties by considering the self-interaction energy of a unit cell and the interaction energy between the unit cells. The edge perturbation is applied to the selected atoms of ABNNRs and ZBNNRs to simulate the electronic properties changes. This simulation work is done by generating a custom script using numerical computational methods in MATLAB software. When benchmarked against a reference study, our results aligned closely in terms of band structure and bandgap energy for ABNNRs. However, variations were observed in the peak values of the continuous curves for the local density of states. This discrepancy can be attributed to the use of numerical methods in our study, in contrast to the semi-analytical approach adopted in the reference work.

지하매질에서의 방사성핵종흡착: 단일광물의 역할 (Radionuclide Sorption in the Geosphere: Role of Single Minerals)

  • Cho, Young-Hwan;Hyun, Sung-Pil;Hahn, Pilsoo
    • 한국광물학회:학술대회논문집
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    • 한국광물학회.한국암석학회 2001년도 공동학술발표회 논문집
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    • pp.40-40
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    • 2001
  • The sorption behavior of Cs(I), Sr(II), and U(VI) on representative single minerals(oxide and clay) and rocks were comparatively studied by using batch type sorption experiment. The effects of pH, ionic strength and the sorption mechanism were also discussed. It was found that mineral structure played as a main factor governing the sorption characteristics of Cs(I), Sr(II). The sorption of Cs(I) and Sr(II) on minerals showed ionic strength-dependency, which is a indirect sign of weak binding between metal cation and mineral surfaces. However, the sorption behavior of U(VI) was quite different compared with that of Cs(I), and Sr(II). Fe-oxide minerals showed strong tendency for U(VI) sorption, dominating the sorption in the composite/mixture systems. The surface characteristics which arise from mineral structure, and the affinity of metal ions to the sorption sites of minerals are the key to understand the role of minerals in the radionuclide sorption.

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A Theoretical Study of the Formation of Benzene Excimer: Effects of Geometry Relaxation and Spin-state Dependence

  • Kim, Dongwook
    • Bulletin of the Korean Chemical Society
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    • 제35권9호
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    • pp.2738-2742
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    • 2014
  • Geometry relaxation effects on the formation of benzene excimer were investigated by means of ab initio calculation at SOS-CIS($D_0$)/aug-cc-pVDZ level. In the case of T-shaped dimer configuration, intermolecular interactions in the excited states are found to be nearly the same as those in the ground state and structural deformations are limited within a single molecule; the geometry relaxation effects are then negligible and singlet-triplet energy gap remains constant. As for face-to-face eclipsed dimer, on the other hand, both molecules undergo structural change. As a result, intermolecular interactions in the excited states are significantly different than those in the ground state. Although the intermolecular distances obtained from potential energy curve calculation with frozen molecular structures are in qualitative agreement, the excited-state binding energies are notably overestimated with respect to those at optimized structures. In particular, the effects are calculated to be larger in $T_1$ state and hence singlet-triplet energy gap, which reduces markedly in this configuration, is underestimated without relaxation.

Binding energy study from photocurrent signal in HgCdTe layers

  • Hong, Kwang-Joon
    • 한국전기전자재료학회:학술대회논문집
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    • 한국전기전자재료학회 2010년도 하계학술대회 논문집
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    • pp.379-379
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    • 2010
  • $Hg_{1_x}Cd_xTe$ (MCT) was grown by hot wall epitaxy. Prior to the MCT growth, the CdTe (111) buffer layer was grown on the GaAs substrate at the temperature of $590^{\circ}C$ for 15 min. When the thickness of the CdTe buffer layer was $5\;{\mu}m$ or thicker, the full width at half maximum values obtained from the x-ray rocking curves were found to significantly decrease. After a good quality CdTe buffer layer was grown, the MCT epilayers were grown on the CdTe (111) /GaAs substrate at various temperatures in situ. The crystal quality for those epilayers was investigated by means of the x-ray rocking curves and the photocurrent experiment. The photoconductor characterization for the epilayers was also measured. The energy band gap of MCT was determined from the photocurrent measurement and the x composition rates from the temperature dependence of the energy band gap were turned out.

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밤 전분의 성질에 대한 전리에너지의 영향 (Effects of Ionizing Energy on Some Physico-Chemical Properties of Chestnut Starch)

  • 권중호;박선희;김성곤
    • 한국식품과학회지
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    • 제25권1호
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    • pp.83-85
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    • 1993
  • 밤을 $0.15{\sim}0.45\;kGy$ 범위의 감마선으로 처리하고 이로부터 분리한 전분의 성질을 조사하였다. 감마선 처리에 따라 전분의 물결합 능력은 다소 증가되었고, 고유점도와 아밀로그래프 점도는 일정하게 감소되었다(r=-0.950). 그러나 전분의 팽윤력, blue value 및 광투과도는 발아억제 선량범위에서 변화되지 않았다.

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Interband optical properties in wide band gap group-III nitride quantum dots

  • Bala, K. Jaya;Peter, A. John
    • Advances in nano research
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    • 제3권1호
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    • pp.13-27
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    • 2015
  • Size dependent emission properties and the interband optical transition energies in group-III nitride based quantum dots are investigated taking into account the geometrical confinement. Exciton binding energy and the optical transition energy in $Ga_{0.9}In_{0.1}N$/GaN and $Al_{0.395}In_{0.605}N$/AlN quantum dots are studied. The largest intersubband transition energies of electron and heavy hole with the consideration of geometrical confinement are brought out. The interband optical transition energies in the quantum dots are studied. The exciton oscillator strength as a function of dot radius in the quantum dots is computed. The interband optical absorption coefficients in GaInN/GaN and AlInN/AlN quantum dots, for the constant radius, are investigated. The result shows that the largest intersubband energy of 41% (10%) enhancement has been observed when the size of the dot radius is reduced from $50{\AA}$ to $25{\AA}$ of $Ga_{0.9}In_{0.1}N$/GaN ($Al_{0.395}In_{0.605}N$/AlN) quantum dot.