• 제목/요약/키워드: quantum double

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Application of Pseudo Molecular Complexes (II). A New Mechanism for Aromatic Substitution (유사분자 착물의 응용 (제 2 보). 새로운 방향족 치환반응 기구)

  • Park Byung-Kak
    • Journal of the Korean Chemical Society
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    • v.19 no.3
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    • pp.179-185
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    • 1975
  • A new mechanism is proposed for aromatic substitution, involving the formation of pseudo molecular complexes at the transition state. It accounts for the addition reactions of aromatic compounds with double bond reagents such as ozone, somium tetraoxide and carbene as well as all of the features of electrophilic substitution reactions. The pseudo molecular complex has been proved to be formed by quantum-chemical considerations using the simple Huckel method.

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Electromagnetic Resonant Tunneling System: Double-Magnetic Barriers

  • Kim, Nammee
    • Applied Science and Convergence Technology
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    • v.23 no.3
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    • pp.128-133
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    • 2014
  • We study the ballistic spin transport properties in a two-dimensional electron gas system in the presence of magnetic barriers using a transfer matrix method. We concentrate on the size-effect of the magnetic barriers parallel to a two-dimensional electron gas plane. We calculate the transmission probability of the ballistic spin transport in the magnetic barrier structure while varying the width of the magnetic barriers. It is shown that resonant tunneling oscillation is affected by the width and height of the magnetic barriers sensitively as well as by the inter-spacing of the barriers. We also consider the effect of additional electrostatic modulation on the top of the magnetic barriers, which could enhance the current spin polarization. Because all-semiconductor-based devices are free from the resistance mismatch problem, a resonant tunneling structure using the two-dimensional electron gas system with electric-magnetic modulation would play an important role in future spintronics applications. From the results here, we provide information on the physical parameters of a device to produce well-defined spin-polarized current.

Semi-analytical Modeling of Transition Metal Dichalcogenide (TMD)-based Tunneling Field-effect Transistors (TFETs)

  • Huh, In
    • Proceeding of EDISON Challenge
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    • 2016.03a
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    • pp.368-372
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    • 2016
  • In this paper, the physics-based analytical model of transition metal dichalcogenide (TMD)-based double-gate (DG) tunneling field-effect transistors (TFETs) is proposed. The proposed model is derived by using the two-dimensional (2-D) Landauer formula and the Wentzel-Kramers-Brillouin (WKB) approximation. For improving the accuracy, nonlinear and continuous lateral energy band profile is applied to the model. 2-D density of states (DOS) and two-band effective Hamiltonian for TMD materials are also used in order to consider the 2-D nature of TMD-based TFETs. The model is validated by using the tight-binding non-equilibrium Green's function (NEGF)-based quantum transport simulation in the case of monolayer molybdenum disulfide ($MoS_2$)-based TFETs.

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Theoretical Investigation of 2,3-bis(2,4,5-trimethyl-3-thienyl)maleic anhydride: A Thermally Irreversible Photochromic System

  • 조한국;정병서
    • Bulletin of the Korean Chemical Society
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    • v.19 no.3
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    • pp.308-313
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    • 1998
  • A thermally irreversible photochromic system, 2,3-bis(2,4,5-trimethyl-3-thienyl)maleic anhydride (MTMA), has been studied by semi-empirical molecular orbital methods. There are one pair of stable conformations for the closed-ring form and three pairs for the open-ring form, each pair consisting of two mirror-image conformations. Interconversion between the parallel and anti-parallel conformations of the open-ring form is restricted due to high energy barriers. Only the anti-parallel conformation appears to be responsible for photochromic cyclization. Thermostability of the compound is attributed to an avoided crossing at high energy in the ground states of the isomers, whereas the photoreactivity can be explained by the mutually connected excited singlet (S1) states of the isomers, forming a double well potential with a low energy barrier. The large solvent effects can be partly explained with the low dipole moment of the anti-parallel conformation of MTMA in the S1 state. The large variation of quantum efficiency suggests that excess vibronic energy can be utilized to provide the activation energy for the photochromic reaction.

Simulation and Experimental Studies of Real-Time Motion Compensation Using an Articulated Robotic Manipulator System

  • Lee, Minsik;Cho, Min-Seok;Lee, Hoyeon;Chung, Hyekyun;Cho, Byungchul
    • Progress in Medical Physics
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    • v.28 no.4
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    • pp.171-180
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    • 2017
  • The purpose of this study is to install a system that compensated for the respiration motion using an articulated robotic manipulator couch which enables a wide range of motions that a Stewart platform cannot provide and to evaluate the performance of various prediction algorithms including proposed algorithm. For that purpose, we built a miniature couch tracking system comprising an articulated robotic manipulator, 3D optical tracking system, a phantom that mimicked respiratory motion, and control software. We performed simulations and experiments using respiratory data of 12 patients to investigate the feasibility of the system and various prediction algorithms, namely linear extrapolation (LE) and double exponential smoothing (ES2) with averaging methods. We confirmed that prediction algorithms worked well during simulation and experiment, with the ES2-averaging algorithm showing the best results. The simulation study showed 43% average and 49% maximum improvement ratios with the ES2-averaging algorithm, and the experimental study with the $QUASAR^{TM}$ phantom showed 51% average and 56% maximum improvement ratios with this algorithm. Our results suggest that the articulated robotic manipulator couch system with the ES2-averaging prediction algorithm can be widely used in the field of radiation therapy, providing a highly efficient and utilizable technology that can enhance the therapeutic effect and improve safety through a noninvasive approach.

Photocycloaddition Reaction of 4',5'-Dihydropsoralen to Tetramethylethylene (4',5'-디히드로소랄렌과 테트라메틸에틸렌의 광고리화 첨가반응에 관한 연구)

  • Sang Chul Shim;Jong Sung Koh
    • Journal of the Korean Chemical Society
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    • v.26 no.3
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    • pp.172-178
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    • 1982
  • A psoralen-DNA monoadduct analogue, 4',5'-dihydropsoralen (DHP) is synthesized and its photophysical properties such as fluorescence quantum yield (0.08), phosphorescence quantum yield (0.013), fluorescence lifetime (0.95ns), and phosphorescence lifetime(0.039s) were measured in ether solution and in frozen matrix state at 77K. The photocycloaddition reaction of DHP with tetramethylethylene(TME) was carried out in solution and in the frozen state. The major photoadduct was isolated and characterized by elemental analysis and physical methods such as UV, IR, NMR, and mass spectrometry. The major DHP-TME photoadduct was proved to be an 1 : 1 $C_4$-cycloadduct formed through 2 + 2 cycloaddition of the pyrone double bond of DHP to TME.

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Selective Effects of Curcumin on CdSe/ZnS Quantum-dot-induced Phototoxicity Using UVA Irradiation in Normal Human Lymphocytes and Leukemia Cells

  • Goo, Soomin;Choi, Young Joo;Lee, Younghyun;Lee, Sunyeong;Chung, Hai Won
    • Toxicological Research
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    • v.29 no.1
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    • pp.35-42
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    • 2013
  • Quantum dots (QDs) have received considerable attention due to their potential role in photosensitization during photodynamic therapy. Although QDS are attractive nanomaterials due to their novel and unique physicochemical properties, concerns about their toxicity remain. We suggest a combination strategy, CdSe/ZnS QDs together with curcumin, a natural yellow pigment from turmeric, to reduce QD-induced cytotoxicity. The aim of this study was to explore a potentially effective cancer treatment: co-exposure of HL-60 cells and human normal lymphocytes to CdSe/ZnS QDs and curcumin. Cell viability, apoptosis, reactive oxygen species (ROS) generation, and DNA damage induced by QDs and/or curcumin with or without ultraviolet A (UVA) irradiation were evaluated in both HL-60 cells and normal lymphocytes. In HL-60 cells, cell death, apoptosis, ROS generation, and single/double DNA strand breaks induced by QDs were enhanced by treatment with curcumin and UVA irradiation. The protective effects of curcumin on cell viability, apoptosis, and ROS generation were observed in normal lymphocytes, but not leukemia cells. These results demonstrated that treatment with QD combined with curcumin increased cell death in HL-60 cells, which was mediated by ROS generation. However, curcumin acted as an antioxidant in cultured human normal lymphocytes.

Fabrication and Characterization of High Luminance WOLED Using Single Host and Three Color Dopants (단일 호스트와 3색 도펀트를 이용한 고휘도 백색 유기발광다이오드 제작과 특성 평가)

  • Kim, Min Young;Lee, Jun Ho;Jang, Ji Geun
    • Korean Journal of Materials Research
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    • v.26 no.3
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    • pp.117-122
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    • 2016
  • White organic light-emitting diodes with a structure of indium-tin-oxide [ITO]/N,N-diphenyl-N,N-bis-[4-(phenylm-tolvlamino)-phenyl]-biphenyl-4,4-diamine [DNTPD]/[2,3-f:2, 2-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile [HATCN]/1,1-bis(di-4-poly-aminophenyl) cyclo -hexane [TAPC]/emission layers doped with three color dopants/4,7-diphenyl-1,10-phenanthroline [Bphen]/$Cs_2CO_3$/Al were fabricated and evaluated. In the emission layer [EML], N,N-dicarbazolyl-3,5-benzene [mCP] was used as a single host and bis(2-phenyl quinolinato)-acetylacetonate iridium(III) [Ir(pq)2acac]/fac-tris(2-phenylpyridinato) iridium(III) $[Ir(ppy)_3]$/iridium(III) bis[(4,6-di-fluoropheny)-pyridinato-N,C2] picolinate [FIrpic] were used as red/green/blue dopants, respectively. The fabricated devices were divided into five types (D1, D2, D3, D4, D5) according to the structure of the emission layer. The electroluminescence spectra showed three peak emissions at the wavelengths of blue (472~473 nm), green (495~500 nm), and red (589~595 nm). Among the fabricated devices, the device of D1 doped in a mixed fashion with a single emission layer showed the highest values of luminance and quantum efficiency at the given voltage. However, the emission color of D1 was not pure white but orange, with Commission Internationale de L'Eclairage [CIE] coordinates of (x = 0.41~0.45, y = 0.41) depending on the applied voltages. On the other hand, device D5, with a double emission layer of $mCP:[Ir(pq)_2acac(3%)+Ir(ppy)_3(0.5%)]$/mCP:[FIrpic(10%)], showed a nearly pure white color with CIE coordinates of (x = 0.34~0.35, y = 0.35~0.37) under applied voltage in the range of 6~10 V. The luminance and quantum efficiency of D5 were $17,160cd/m^2$ and 3.8% at 10 V, respectively.

Public Exposure to Natural Radiation and the Associated Increased Risk of Lung Cancer in the Betare-Oya Gold Mining Areas, Eastern Cameroon

  • Joseph Emmanuel Ndjana Nkoulou II;Louis Ngoa Engola;Guy Blanchard Dallou;Saidou;Daniel Bongue;Masahiro Hosoda;Moise Godefroy Kwato Njock;Shinji Tokonami
    • Journal of Radiation Protection and Research
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    • v.48 no.2
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    • pp.59-67
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    • 2023
  • Background: This study aims to reevaluate natural radiation exposure, following up on our previous study conducted in 2019, and to assess the associated risk of lung cancer to the public residing in the gold mining areas of Betare-Oya, east Cameroon, and its vicinity. Materials and Methods: Gamma-ray spectra collected using a 7.62 cm×7.62 cm in NaI(Tl) scintillation spectrometer during a car-borne survey, in situ measurements and laboratory measurements performed in previous studies were used to determine the outdoor absorbed dose rate in air to evaluate the annual external dose inhaled by the public. For determining internal exposure, radon gas concentrations were measured and used to estimate the inhalation dose while considering the inhalation of radon and its decay products. Results and Discussion: The mean value of the laboratory-measured outdoor gamma dose rate was 47 nGy/hr, which agrees with our previous results (44 nGy/hr) recorded through direct measurements (in situ and car-borne survey). The resulting annual external dose (0.29±0.09 mSv/yr) obtained is similar to that of the previous study (0.33±0.03 mSv/yr). The total inhalation dose resulting from radon isotopes and their decay products ranged between 1.96 and 9.63 mSv/yr with an arithmetic mean of 3.95±1.65 mSv/yr. The resulting excess lung cancer risk was estimated; it ranged from 62 to 216 excess deaths per million persons per year (MPY), 81 to 243 excess deaths per MPY, or 135 excess deaths per MPY, based on whether risk factors reported by the U.S. Environmental Protection Agency, United Nations Scientific Committee on the effects of Atomic Radiation, or International Commission on Radiological Protection were used, respectively. These values are more than double the world average values reported by the same agencies. Conclusion: There is an elevated level of risk of lung cancer from indoor radon in locations close to the Betare-Oya gold mining region in east Cameroon. Therefore, educating the public on the harmful effects of radon exposure and considering some remedial actions for protection against radon and its progenies is necessary.

Improved Photolysis of Water from Ti Incorporated Double Perovskite Sr2FeNbO6 Lattice

  • Borse, P.H.;Cho, C.R.;Yu, S.M.;Yoon, J.H.;Hong, T.E.;Bae, J.S.;Jeong, E.D.;Kim, H.G.
    • Bulletin of the Korean Chemical Society
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    • v.33 no.10
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    • pp.3407-3412
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    • 2012
  • The Ti incorporation at Fe-site in the double perovskite lattice of $Sr_2FeNbO_6$ (SFNO) system is studied. The Ti concentration optimization yielded an efficient photocatalyst. At an optimum composition of Ti as x = 0.07 in $Sr_2Fe_{1-x}Ti_xNbO_6$, the photocatalyst exhibited 2 times the quantum yield for photolysis of $H_2O$ in presence of $CH_3OH$, than its undoped counterpart under visible light (${\lambda}{\geq}420nm$). Heavily Ti-doped $Sr_2Fe_{1-x}Ti_xNbO_6$ lattice exhibited poor photochemical properties due to the existence of constituent impurity phases as observed in the structural characterization, as well as deteriorated optical absorption. The higher electron-density acquired by n-type doping seem to be responsible for the more efficient charge separation in $Sr_2Fe_{1-x}Ti_xNbO_6$ (0.05 < x < 0.4) and thus consequently displays higher photocatalytic activity. The Ti incorporated structure also found to yield stable photocatalyst.