• Title/Summary/Keyword: Asymmetric Transition

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Investigation on Ferroelectric and Magnetic Properties of Pb(Fe1/2Nb1/2)O3 Fe-Site Engineered with Antisymmetric Exchange Interaction (반대칭 교환 상호작용을 갖도록 Fe-Site가 제어된 PbFe1/2Nb1/2O3의 강유전/자기적 특성 연구)

  • Park, Ji-Hun;Lee, Ju-Hyeon;Cho, Jae-Hyeon;Jang, Jong Moon;Jo, Wook
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.35 no.3
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    • pp.297-302
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    • 2022
  • We investigated the origin of magnetic behaviors induced by an asymmetric spin exchange interaction in Fe-site engineered lead iron niobate [Pb(Fe1/2Nb1/2)O3, PFN], which exhibits a room-temperature multiferroicity. The magnitude of spin exchange interaction was regulated by the introduced transition metals with a distinct Bohr magneton, i.e., Cr, Co, and Ni. All compositions were found to have a single-phase perovskite structure keeping their ferroelectric order except for Cr introduction. We discovered that the incorporation of each transition metal imposes a distinct magnetic behavior on the lead iron niobate system; antiferro-, hard ferro-, and soft ferromagnetism for Cr, Co, and Ni, respectively. This indicates that orbital occupancy and interatomic distance play key roles in the determination of magnetic behavior rather than the magnitude of the individual Bohr magneton. Further investigations are planned, such as X-ray absorption spectroscopy, to clarify the origin of magnetic properties in this system.

Growth Properties of Tungsten-Bronze Sr1-xBaxNb2O6 Single Crystals (텅스텐 브론즈 Sr1-xBaxNb2O6 단결정의 성장 특성)

  • Joo, Gi-Tae;Kang, Bonghoon
    • Korean Journal of Materials Research
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    • v.22 no.12
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    • pp.711-716
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    • 2012
  • Tungsten bronze structure $Sr_{1-x}Ba_xNb_2O_6$ (SBN) single crystals were grown primarily using the Czochralski method, in which several difficulties were encountered: striation formation and diameter control. Striation formation occurred mainly because of crystal rotation in an asymmetric thermal field and unsteady melt convection driven by thermal buoyancy forces. To optimize the growth conditions, bulk SBN crystals were grown in a furnace with resistance heating elements. The zone of $O_2$ atmosphere for crystal growth is 9.0 cm and the difference of temperature between the melt and the top is $70^{\circ}C$. According to the growth conditions of the rotation rate, grown SBN became either polycrystalline or composed of single crystals. In the case of as-grown $Sr_{1-x}Ba_xNb_2O_6$ (x = 0.4; 60SBN) single crystals, the color of the crystals was transparent yellowish and the growth axis was the c-axis. The facets of the crystals were of various shapes. The length and diameter of the single crystals was 50~70 mm and 5~10 mm, respectively. Tungsten bronze SBN growth is affected by the temperature profile and the atmosphere of the growing zone. The thermal expansion coefficients on heating and on cooling of the grown SBN single crystals were not matched. These coefficients were thought to influence the phase transition phenomena of SBN.

Population and Interconversion of Neutral and Zwitterionic Forms of L-Alanine in Solution

  • Kang, Young-Kee;Byun, Byung-Jin;Kim, Yong-Hyun;Kim, Yun-Ho;Lee, Dong-Hwa;Lee, Joo-Yun
    • Bulletin of the Korean Chemical Society
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    • v.29 no.6
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    • pp.1149-1156
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    • 2008
  • The conformational study on neutral and zwitterionic L-alanines (N-Ala and Z-Ala, respectively) and the transition state (TS) for their interconversion is carried out using ab initio HF and density functional B3LYP methods with the self-consistent reaction field method in the gas phase and in solution. At both the HF and B3LYP levels of theory, the local minimum N1 for N-Ala is found to be most preferred in the gas phase and a weak asymmetric bifurcated hydrogen bond between the amino hydrogens and the carbonyl oxygen appears to play a role in stabilizing this conformation. The local minima N2a and N2b are found to be the second preferred conformations, which seem to be stabilized by a hydrogen bond between the amino nitrogen and the carboxylic hydrogen. The relative stability of the local minimum N2b is remarkably increased in solution than that in the gas phase. The local minimum N2b becomes more stable than the local minimum N2a in most of the solution. On the whole the relative free energies of Z-Ala and TS become more lowered, as the solvent polarity increases. N-Ala prevails over Z-Ala in aprotic solutions but Z-Ala is dominantly populated in ethanol and water. In aprotic solutions, the population of Z-Ala increases somewhat with the increase of solvent polarity. The barrier to Z-Ala-to-N-Ala interconversion increases on the whole with the increase of solvent polarity, which is caused by the increase of stability for Z-Ala.

Characteristics of Sulfonated Poly(arylene ether sulfones) Cation-Exchange Membrane by Variation of Sulforic Acid Group Concentration (술폰화 poly(arylene ether sulfones) 양이온 교환막의 술폰산기 농도 변화에 따른 특성)

  • Kim Lae Hyun;Lee Seung Yong;Choi Sun Yong;Lee Joung Woo;Park Sei Yong
    • Journal of the Korean Electrochemical Society
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    • v.3 no.1
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    • pp.57-62
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    • 2000
  • Sulfonated Polysulfone (SPSF) cation-exchange membranes were synthesized by introducing various ratio of chlorosulfuric acid (CSA) onto the main chain of polysulfone (PSF). Properties such as ion exchange capacity, water content, liked ion concentration, and partition coefficient were measured, respectively. Through the analysis of DSC and TGA, it has been shown that glass transition temperature increased and weight loss decreased as sulfuric acid group concentration increased. Structure of membrane measured by AFM and SEM was seen to be asymmetric. Apparent diffusion coefficient of sodium ions through SPSF membrane by AC impedance was increased as sulfuric acid group concentration increased.

3D Numerical Simulation of Ice Accretion on a Rotating Surface

  • Mu, Zuodong;Lin, Guiping;Bai, Lizhan;Shen, Xiaobin;Bu, Xueqin
    • International Journal of Aeronautical and Space Sciences
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    • v.18 no.2
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    • pp.352-364
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    • 2017
  • A novel 3D mathematical model for water film runback and icing on a rotating surface is established in this work, where both inertial forces caused by the rotation and shear forces due to the air flow are taken into account. The mathematical model of the water film runback and energy conservation of phase transition process is established, with a cyclical average method applied to simulate the unsteady parameters variation at angles of attack. Ice accretion on a conical spinner surface is simulated and the results are compared with the experimental data to validate the presented model. Then Ice accretion on a cowling surface is numerically investigated. Results show that a higher temperature would correspond to a larger runback ice area and thinner ice layer for glaze ice. Rotation would enhance the icing process, while it would not significantly affect the droplet collection efficiency for an axi-symmetric surface. In the case at angle of attack, the effect of rotation on ice shape is appreciable, ice would present a symmetric shape, while in a stationary case the shape is asymmetric.

Analysis of Dynamical State Transition of Cyclic Connection Neural Networks with Binary Synaptic Weights (이진화된 결합하중을 갖는 순환결합형 신경회로망의 동적 상태천이 해석)

  • 박철영
    • Journal of the Korean Institute of Telematics and Electronics C
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    • v.36C no.5
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    • pp.76-85
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    • 1999
  • The intuitive understanding of the dynamic pattern generation in asymmetric networks may be useful for developing models of dynamic information processing. In this paper, dynamic behavior of the cyclic connection neural network, in which each neuron is connected only to its nearest neurons with binary synaptic weights of $\pm$ 1, has been investigated. Simulation results show that dynamic behavior of the network can be classified into only three categories: fixed points, limit cycles with basin and limit cycles with no basin. Furthermore, the number and the type of limit cycles generated by the networks have been derived through analytical method. The sufficient conditions for a state vector of $n$-neuron network to produce a limit cycle of $n$- or 2$n$-period are also given. The results show that the estimated number of limit cycles is an exponential function of $n$. On the basis of this study, cyclic connection neural network may be capable of storing a large number of dynamic information.

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Development of Novel Pyrrolidine Organocatalyst

  • Im, Seol-Hui;Gang, Seong-Ho
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.198-198
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    • 2011
  • Organocatalysis is a relatively new and popular area within the field of chiral molecule synthesis. It is one of the main branches of enantioselective synthesis with enzymatic and organometallic catalysis. In recent years, immense high quality studies on catalysis by chiral secondary amines were reported. These progresses instantly led to different organocatalytic activation concepts, so thousands of researchers from academia and the chemical industry are currently involved in this field and new ideas, new approaches, and creative thinking have been rapidly emerged. Organocatalysts, some of which are natural products, appear to solve the problems of metal catalysts. Compared to metal-based catalysis, they have many advantages including savings in cost, time, and energy, easier experimental procedure, and reduction of chemical waste. These benefits originate from the following factors. First, organocatalysts are generally stable in oxygen and water in the atmosphere, there is no need for special equipments or experimental techniques to operate under anhydrous or anaerobic conditions. Second, organic reagents are naturally available from biological materials as single enantiomers that they are easy and cheap to prepare which makes them suitable for small-scale to industrial-scale reactions. Third, in terms of safety related catalysis, small organic molecules are non-toxic and environmentally friendly. Therefore, the purpose of this research is to develop novel synthetic methods and design for various organocatalyst. Furthermore, it is expected that these organocatalysts can be applied to a variety of asymmetric reactions and study the transition state of these reactions using a metal sulface. Here, we report the synthesis of unprecedented organocatalysts, proline and pyrrolidine derivatives with quaternary carbon center.

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Synthesis of rhombohedral-structured zinc germanate thin films and characteristics of divalent manganese-activated electroluminescence

  • Yoon, Kyung-Ho;Kim, Joo-Han
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.453-453
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    • 2010
  • In this study, zinc germanate ($Zn_2GeO_4$) thin films has been synthesized by using radio frequency magnetron sputtering and the divalent manganese-activated luminescence was characterized. X-ray diffraction patterns of the as-deposited $Zn_2GeO_4$:Mn films showed only a broad feature, indicative of an amorphous structure. Scanning electron microscopy images revealed that the as-deposited $Zn_2GeO_4$:Mn has a smooth surface morphology. The $Zn_2GeO_4$:Mn films were found to be crystallized by annealing in air ambient at temperatures as low as $700^{\circ}C$. The annealed $Zn_2GeO_4$:Mn possessed a rhombohedral polycrystalline structure. The broad-band photoluminescent emission spectrum from 470 to 650nm was obtained at room temperature from the $Zn_2GeO_4$:Mn films. The emission peak was centered at around 535nm in the green range, which originates from the intrashell transition of manganese $3d^5$ electrons from $^4T_1$ excited-state level to the $^6A_1$ ground state. The PL emission spectrum had an asymmetric line shape, which results from the $^3d_5$ electron transitions of divalent manganese ions located at different sites of the zinc germanate host crystal lattice. Electroluminescent devices were fabricated using $Zn_2GeO_4$:Mn as an emission layer. The fabricated devices showed a green EL emission similar to the PL emission. The CIE chromaticity color coordinates of the EL emission were determined to be x=0.308 and y=0.657.

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Effects of Flux and Ta5+ Substitution on the Photoluminescence of Lu(Nb,Ta)O4:Eu3+ Phosphors (융제 및 Ta5+ 치환이 Lu(Nb,Ta)O4:Eu3+ 형광체의 발광 특성에 미치는 영향)

  • Kim, Jiwon;Kim, Young Jin
    • Korean Journal of Materials Research
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    • v.29 no.9
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    • pp.559-566
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    • 2019
  • $Lu(Nb,Ta)O_4:Eu^{3+}$ powders are synthesized by a solid-state reaction process using LiCl and $Li_2SO_4$ fluxes. The photoluminescence (PL) excitation spectra of the synthesized powders consist of broad bands at approximately 270 nm and sharp peaks in the near ultraviolet region, which are assigned to the $Nb^{5+}-O^{2-}$ charge transfer of $[NbO_4]^{3-}$ niobates and the f-f transition of $Eu^{3+}$, respectively. The PL emission spectra exhibit red peaks assigned to the $^5D_0{\rightarrow}^7F_J$ transitions of $Eu^{3+}$. The strongest peak is obtained at 614 nm ($^5D_0{\rightarrow}^7F_2$), indicating that the $Eu^{3+}$ ions are incorporated into the $Lu^{3+}$ asymmetric sites. The addition of fluxes causes the increase in emission intensity, and $Li_2SO_4$ flux is more effective for enhancement in emission intensity than is LiCl flux. The substitution of $Ta^{5+}$ for $Nb^{5+}$ results in an increase or decrease in the emission intensity of $LuNb_{1-x}Ta_xO_4:Eu^{3+}$ powders, depending on amount and kind of flux. The findings are explained using particle morphology, modification of the $[NbO_4]^{3-}$ structure, formation of substructure of $LuTaO_4$, and change in the crystal field surrounding the $Eu^{3+}$ ions.

Synthesis and Structural Characterization of Main Group 15 Organometallics R3M and R(Ph)2P(=N-Ar)(M = P, Sb, Bi; R = phenanthrenyl; Ar = 2,6-iPr2-C6H3)

  • Lee, Eun-Ji;Hong, Jin-Seok;Kim, Tae-Jeong;Kang, Young-Jin;Han, Eun-Me;Lee, Jae-Jung;Song, Ki-Hyung;Kim, Dong-Uk
    • Bulletin of the Korean Chemical Society
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    • v.26 no.12
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    • pp.1946-1952
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    • 2005
  • New group 15 organometallic compounds, M$(phenanthrenyl)_3$ (M = P (1), Sb (2), Bi (3)) have been prepared from the reactions of 9-phenanthrenyllithium with $MCl_3$. A reaction of 9-(diphenylphosphino)phenanthrene with 2,6-diisopropylphenyl azide led to the formation of (phenanthrenyl)${(Ph)}_2P$=N-(2,6-$^iPr_2C_6H_3$) (4). The crystal structures of 2 and 4 have been determined by single-crystal X-ray diffractions, both of which crystallize with two independent molecules in the asymmetric unit. Compound 2 shows a trigonal pyramidal geometry around the Sb atom with three phenanthrenyl groups being located in a screw-like fashion with an approximately $C_3$ symmetry. A significant amount of CH- -$\pi$ interaction exists between two independent molecules of 4. The phosphorus center possesses a distorted tetrahedral environment with P-N bond lengths of 1.557(3)$\AA$ (P(1) N) and 1.532(3)$\AA$ (P(2)-N), respectively, which are short enough to support a double bond character. One of the most intriguing structural features of 4 is an unusually diminished bond angle of C-N-P, attributable to the hydrogen bonding of N(1)-H(5A) [ca. 2.49$\AA$ between two adjacent molecules in crystal packing. The compounds 1-3 show purple emission both in solution and as films at room temperature with emission maxima ($\lambda_{max}$) at 349, 366, and 386 nm, respectively, attributable to the ligand centered $\pi$ $\rightarrow$ $\pi^\ast$ transition in phenanthrene contributed by the lone pair electrons of the Gp 15 elements. Yet the nature of luminescence observed with 4 differs in that it originates from $\pi$ (diisopropylbenzene)-$\pi^\ast$ (phenanthrene) transitions with the $\rho\pi$contribution from the nitrogen atom. The emission maximum of 4 is red-shifted ranging 350-450 nm due to the internal charge transfer from the phenanthrenyl ring to the N-arylamine group as deduced from the ab initio calculations.