• Title/Summary/Keyword: crystal structure analysis

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Preparation of Al-doped NiO via Solvothermal Synthesis and its Crystal Structural and Electrical Properties (용매열 합성법을 통하여 알루미늄을 도핑한 니켈옥사이드의 제조와 그 결정구조적, 전기적 특성)

  • Hong, Sun-Ki;Ji, Mi-Jung;Lee, Min-Jin;Jung, Sung-Hun;Seol, Kwang-Hee;Choi, Byung-Hyun
    • Korean Journal of Materials Research
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    • v.22 no.11
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    • pp.631-635
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    • 2012
  • Nickel oxide was doped with a wide range of concentrations (mol%) of Aluminum (Al) by solvothermal synthesis; single-phased nano powder of nickel oxide was generated after calcination at$900^{\circ}C$. When the concentration of Al dopant was increased, the reduced intensity was confirmed through XRD analysis. Lattice parameters of the synthesized NiO powder were decreased after treatment of the dopant; parameters were increased when the concentration of Al was over the doping limit (5 mol% Al). The binding energy of $Ni^{2+}$ was chemically shifted to $Ni^{3+}$ by doping $Al^{3+}$ ion, as confirmed by the XPS analysis. The tilted structure of the synthesized NiO with 5 mol% Al dopant and the polycrystalline structure of the $Ni_{0.75}Al_{0.25}O$ were observed by HR-TEM analysis. The electrical conductivity of the newly synthesized NiO was highly improved by Al doping in the conductivity test. The electrical conductivity values of the commercial NiO and the synthesized NiO with 5 mol% Al dopant ($Ni_{0.95}Al_{0.05}O$) were 1,400 s/cm and 2,230 s/cm at $750^{\circ}C$, respectively. However, the electrical conductivity of the synthesized NiO with 10 mol% Al dopant ($Ni_{0.9}Al_{0.1}O$) decreased due to the scattering of free-electrons caused by the large number of impurity atoms; the electrical conductivity of $Ni_{0.9}Al_{0.1}O$ was 545 s/cm at $750^{\circ}C$.

Highly Doped Nano-crystal Embedded Polymorphous Silicon Thin Film Deposited by Using Neutral Beam Assisted CVD at Room Temperature

  • Jang, Jin-Nyeong;Lee, Dong-Hyeok;So, Hyeon-Uk;Hong, Mun-Pyo
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.154-155
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    • 2012
  • The promise of nano-crystalites (nc) as a technological material, for applications including display backplane, and solar cells, may ultimately depend on tailoring their behavior through doping and crystallinity. Impurities can strongly modify electronic and optical properties of bulk and nc semiconductors. Highly doped dopant also effect structural properties (both grain size, crystal fraction) of nc-Si thin film. As discussed in several literatures, P atoms or radicals have the tendency to reside on the surface of nc. The P-radical segregation on the nano-grain surfaces that called self-purification may reduce the possibility of new nucleation because of the five-coordination of P. In addition, the P doping levels of ${\sim}2{\times}10^{21}\;at/cm^3$ is the solubility limitation of P in Si; the solubility of nc thin film should be smaller. Therefore, the non-activated P tends to segregate on the grain boundaries and the surface of nc. These mechanisms could prevent new nucleation on the existing grain surface. Therefore, most researches shown that highly doped nc-thin film by using conventional PECVD deposition system tended to have low crystallinity, where the formation energy of nucleation should be higher than the nc surface in the intrinsic materials. If the deposition technology that can make highly doped and simultaneously highly crystallized nc at low temperature, it can lead processes of next generation flexible devices. Recently, we are developing a novel CVD technology with a neutral particle beam (NPB) source, named as neutral beam assisted CVD (NBaCVD), which controls the energy of incident neutral particles in the range of 1~300eV in order to enhance the atomic activation and crystalline of thin films at low temperatures. During the formation of the nc-/pm-Si thin films by the NBaCVD with various process conditions, NPB energy directly controlled by the reflector bias and effectively increased crystal fraction (~80%) by uniformly distributed nc grains with 3~10 nm size. In the case of phosphorous doped Si thin films, the doping efficiency also increased as increasing the reflector bias (i.e. increasing NPB energy). At 330V of reflector bias, activation energy of the doped nc-Si thin film reduced as low as 0.001 eV. This means dopants are fully occupied as substitutional site, even though the Si thin film has nano-sized grain structure. And activated dopant concentration is recorded as high as up to 1020 #/$cm^3$ at very low process temperature (< $80^{\circ}C$) process without any post annealing. Theoretical solubility for the higher dopant concentration in Si thin film for order of 1020 #/$cm^3$ can be done only high temperature process or post annealing over $650^{\circ}C$. In general, as decreasing the grain size, the dopant binding energy increases as ratio of 1 of diameter of grain and the dopant hardly be activated. The highly doped nc-Si thin film by low-temperature NBaCVD process had smaller average grain size under 10 nm (measured by GIWAXS, GISAXS and TEM analysis), but achieved very higher activation of phosphorous dopant; NB energy sufficiently transports its energy to doping and crystallization even though without supplying additional thermal energy. TEM image shows that incubation layer does not formed between nc-Si film and SiO2 under later and highly crystallized nc-Si film is constructed with uniformly distributed nano-grains in polymorphous tissues. The nucleation should be start at the first layer on the SiO2 later, but it hardly growth to be cone-shaped micro-size grains. The nc-grain evenly embedded pm-Si thin film can be formatted by competition of the nucleation and the crystal growing, which depend on the NPB energies. In the evaluation of the light soaking degradation of photoconductivity, while conventional intrinsic and n-type doped a-Si thin films appeared typical degradation of photoconductivity, all of the nc-Si thin films processed by the NBaCVD show only a few % of degradation of it. From FTIR and RAMAN spectra, the energetic hydrogen NB atoms passivate nano-grain boundaries during the NBaCVD process because of the high diffusivity and chemical potential of hydrogen atoms.

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Binding Mode Analysis of Bacillus subtilis Obg with Ribosomal Protein L13 through Computational Docking Study

  • Lee, Yu-No;Bang, Woo-Young;Kim, Song-Mi;Lazar, Prettina;Bahk, Jeong-Dong;Lee, Keun-Woo
    • Interdisciplinary Bio Central
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    • v.1 no.1
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    • pp.3.1-3.6
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    • 2009
  • Introduction: GTPases known as translation factor play a vital role as ribosomal subunit assembly chaperone. The bacterial Obg proteins ($Spo{\underline{0B}}$-associated ${\underline{G}}TP$-binding protein) belong to the subfamily of P-loop GTPase proteins and now it is considered as one of the new target for antibacterial drug. The majority of bacterial Obgs have been commonly found to be associated with ribosome, implying that these proteins may play a fundamental role in ribosome assembly or maturation. In addition, one of the experimental evidences suggested that Bacillus subtilis Obg (BsObg) protein binds to the L13 ribosomal protein (BsL13) which is known to be one of the early assembly proteins of the 50S ribosomal subunit in Escherichia coli. In order to investigate binding mode between the BsObg and the BsL13, protein-protein docking simulation was carried out after generating 3D structure of the BsL13 structure using homology modeling method. Materials and Methods: Homology model structure of BsL13 was generated using the EcL13 crystal structure as a template. Protein-protein docking of BsObg protein with ribosomal protein BsL13 was performed by DOT, a macro-molecular docking software, in order to predict a reasonable binding mode. The solvated energy minimization calculation of the docked conformation was carried out to refine the structure. Results and Discussion: The possible binding conformation of BsL13 along with activated Obg fold in BsObg was predicted by computational docking study. The final structure is obtained from the solvated energy minimization. From the analysis, three important H-bond interactions between the Obg fold and the L13 were detected: Obg:Tyr27-L13:Glu32, Obg:Asn76-L13:Glu139, and Obg:Ala136-L13:Glu142. The interaction between the BsObg and BsL13 structures were also analyzed by electrostatic potential calculations to examine the interface surfaces. From the results, the key residues for hydrogen bonding and hydrophobic interaction between the two proteins were predicted. Conclusion and Prospects: In this study, we have focused on the binding mode of the BsObg protein with the ribosomal BsL13 protein. The interaction between the activated Obg and target protein was investigated with protein-protein docking calculations. The binding pattern can be further used as a base for structure-based drug design to find a novel antibacterial drug.

Synthesis and Characterization of Tetranuclear Molybdenum(Ⅵ) Complexes with Butylamidoxime Derivatives (부틸아미드옥심 유도체의 몰리브덴(Ⅵ) 사핵 착물의 합성과 성질)

  • Roh, Soo-Gyun;Oh, Sang Oh
    • Journal of the Korean Chemical Society
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    • v.39 no.7
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    • pp.552-558
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    • 1995
  • The tetranuclear complexes, $X_2[M_{O4}O_12{R'C(NH_2)NO}_2](X= n-Bu_4N^+$, $R'=(CH_3)_2CH$, $CH_3CH_2CH_2$, $CH_3SCH_2$; $X=(CH_3)_2CHC(=NH_2)NH_2^+$, $R'=(CH_3)_2CH$; $X = CH_3CH_2CH_2C(=NH_2)NH_2^+$, $R'=CH_3_CH_2CH_2$; $X=CH_3SCH_2C(=NH_2)NH_2^+$, $R'=CH_3SCH_2)$ have been synthesized by the reactions of monomeric and polynuclear complexes with isobutyl-, butyl- and thiomethylacetamidoxime. The prepared complexes were identified by elemental analysis, infrared, $^1H$ NMR and $^{13}C$ NMR spectroscopy. The structure of complex ${(CH_3)_2CHC(NH_2)_2}_2[M_{O4}O_{12}{(CH_3)_2CHC(NH_2)NO}_2]$ was determined by X-ray single crystal diffraction. Crystal data are follows: Monoclinic, $P2_{1/c}$, $a=10.168(3){\AA}$, $b=11.768(1){\AA}$, $c=13.557(1){\AA}$, ${\beta}=102.08(1)^{\circ}$, $V=1586.2(5){\AA}^3$, Z=2, final R=0.026 for 2951($F_0>3s(F_0)$). This complex is composed of a planar cyclic $[Mo_4({\mu}-O)_4]$ and two ${\mu}_4$-amidoximate.

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Three Cyanide-Bridged One-Dimensional Single Chain CoIII-MnII Complexes: Rational Design, Synthesis, Crystal Structures and Magnetic Properties

  • Zhang, Daopeng;Zhao, Zengdian;Wang, Ping;Chen, Xia
    • Bulletin of the Korean Chemical Society
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    • v.33 no.5
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    • pp.1581-1585
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    • 2012
  • Two pyridinecarboxamide dicyanidecobalt(III) building blocks and two mononuclear seven-coordinated macrocycle manganese(II) compounds have been rationally selected to assemble cyanide-bridged heterobimetallic complexes, resulting in three cyanide-bridged $Co^{III}-Mn^{II}$ complexes. Single X-ray diffraction analysis show that these complexes $\{[Mn(L^1)][Co(bpb)]\}ClO_4{\cdot}CH_3OH{\cdot}0.5H_2O$ ($\mathbf{1}$), $\{[Mn(L^2)][Co(bpb)]\}ClO_4{\cdot}0.5CH_3OH$ ($\mathbf{2}$) and ${[Mn(L^1)][Co(bpb)]\}ClO_4{\cdot}H_2O$ ($\mathbf{3}$) ($L^1$ = 3,6-diazaoctane-1,8-diamine, $L^2$ = 3,6-dioxaoctano-1,8-diamine; $bpb2^{2-}$ = 1,2-bis(pyridine-2-carboxamido)benzenate, $bpmb2^{2-}$ = 1,2-bis(pyridine-2-carboxamido)-4-methyl-benzenate) all present predictable one-dimensional single chain structures. The molecular structures of these one-dimensional complexes consists of alternating units of $[Mn(L)]^{2+}$ ($L=L^1$ or $L^2$) and $[Co(L^{\prime})(CN)2]^-$ ($L^{\prime}=bpb2^{2-}$, or $bpmb2^{2-}$), forming a cyanide-bridged cationic polymeric chain with free $ClO_4{^-}$ as the balance anion. The coordination geometry of manganese(II) ion in the three one-dimensional complexes is a slightly distorted pentagonal-bipyrimidal with two cyanide nitrogen atoms at the trans positions and $N_5$ or $N_3O_2$ coordinating mode at the equatorial plane from ligand $L^1$ or $L^2$. Investigation over magnetic properties of these complexes reveals that the very weak magnetic coupling between neighboring Mn(II) ions connected by the diamagnetic dicyanidecobalt(III) building block. A best-fit to the magnetic susceptibility of complex ${\mathbf}{1}$ leads to the magnetic coupling constants $J=-0.084(3)cm^{-1}$.

Study of the Nondestructive Test Method for the Embrittlement Evaluation of Nuclear Reactor Vessel Material by $M{\ddot{o}}ssbauer$ Spectroscopy ($M{\ddot{o}}ssbauer$ 분광법에 의한 원자로 용기재료의 비파괴적 중성자 조사평가에 대한 연구)

  • Jung, M.M.;Jang, K.S.;Yoo, K.B.;Kim, G.M.;Yoon, I.S;Hong, C.Y.
    • Journal of the Korean Society for Nondestructive Testing
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    • v.20 no.3
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    • pp.183-190
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    • 2000
  • The purpose of this study is to evaluate the magnetic property change of the nuclear reactor vessel steel irradiated by fast neutrons using $M{\ddot{o}}ssbauer$ spectroscopy, and the effects of the defects produced by neutron irradiation on the changes using X-ray diffraction. The specimens, fabricated with the dimension of $23mm{\times}18mm{\times}70{\mu}m$, were irradiated by neutron fluence from $10^{12}n/cm^2\;to\;10^{18}n/cm^2$ at 343K. Throughout the experiments, it is understood that (1) the X-ray diffraction measurement shows that the change of crystal nature is started at the irradiation of $10^{16}n/cm^2$ and a crystal structure has been severely damaged at the irradiation over $10^{17}n/cm^2$, (2) the analysis of the $M{\ddot{o}}ssbauer$ spectra has shown that magnetic transition phenomena occur at the irradiation over $10^{17}n/cm^2$ and (3) both methods can be utilized as nondestructive test methods for the embrittlement evaluation of materials irradiated by fast neutrons.

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Ion beam irradiation for surface modification of alignment layers in liquid crystal displays (액정 디스플레이 배향막을 위한 이온빔 표면조사에 관한 연구)

  • Oh, Byeong-Yun;Kim, Byoung-Yong;Lee, Kang-Min;Kim, Young-Hwan;Han, Jeong-Min;Lee, Sang-Keuk;Seo, Dae-Shik
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.04a
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    • pp.41-41
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    • 2008
  • In general, polyimides (PIs) are used in alignment layers in liquid crystal displays (LCDs). The rubbing alignment technique has been widely used to align the LC molecules on the PI layer. Although this method is suitable for mass production of LCDs because of its simple process and high productivity, it has certain limitations. A rubbed PI surface includes debris left by the cloth, and the generation of electrostatic charges during the rubbing induces local defects, streaks, and a grating-like wavy surface due to nonuniform microgrooves that degrade the display resolution of computer displays and digital television. Additional washing and drying to remove the debris, and overwriting for multi-domain formation to improve the electro-optical characteristics such as the wide viewing angle, reduce the cost-effectiveness of the process. Therefore, an alternative to non-rubbing techniques without changing the LC alignment layer (i.e, PI) is proposed. The surface of LC alignment layers as a function of the ion beam (IE) energy was modified. Various pretilt angles were created on the IB-irradiated PI surfaces. After IB irradiation, the Ar ions did not change the morphology of the PI surface, indicating that the pretilt angle was not due to microgrooves. To verify the compositional behavior for the LC alignment, the chemical bonding states of the ill-irradiated PI surfaces were analyzed in detail by XPS. The chemical structure analysis showed that ability of LCs to align was due to the preferential orientation of the carbon network, which was caused by the breaking of C=O double bonds in the imide ring, parallel to the incident 18 direction. The potential of non-rubbing technology for fabricating display devices was further conformed by achieving the superior electro-optical characteristics, compared to rubbed PI.

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Electro-Optical Characteristics and Analysis of 1×1 mm2 Large-Area InGaN/GaN Green LED (1×1 mm2 대면적 녹색 LED의 전기 광학적 특성 분석)

  • Jang, L.W.;Jo, D.S.;Jeon, J.W.;Ahn, Tae-Young;Park, M.J.;Ahn, B.J.;Song, J.H.;Kwak, J.S.;Kim, Jin-Soo;Lee, I.H.;Ahn, H.K.
    • Journal of the Korean Vacuum Society
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    • v.20 no.4
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    • pp.288-293
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    • 2011
  • We investigated the effects of piezoelectric field on the electro-absorption characteristics in InGaN/GaN multiple-quantum well (MQW) green light emitting diodes (LED). Double crystal X-ray diffraction measurement was performed to study the crystalline property and indium (In) composition in the MQW active layer. To measure the electro-luminescence and electro-reflectance (ER) spectroscopy, we fabricated the $1{\times}1\;mm^2$ large-area green LED chip. The piezoelectric field inside the LED structure was evaluated from the Vcomp in active layer by the ER spectra. Finally, we analyzed the electro-absorption characteristics of the green LED by using the photo-current spectroscopy.

Synthesis and Characterization of Guanidine Dinitramide Crystal (구아니딘 디나이트라아마이드 결정의 합성 및 특성 분석)

  • Kim, Wooram;Kwon, Younja;Jo, Youngmin;Park, Youngchul
    • Applied Chemistry for Engineering
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    • v.26 no.6
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    • pp.737-742
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    • 2015
  • An environmentally favorable solid oxidizer, guanidine dinitramide ($H_2C(NH_2)NH_2N(NO_2)_2$), with high purity and synthesis yield was prepared using guanidine carbonate ($NH_2C(=NH)NH_2{\cdot}1/2H_2CO_3$). Two different crystalline forms (${\alpha}$-form and ${\beta}$-form) were obtained depending on the solvent used and synthesis process. Despite of the same chemical composition, Raman-IR and TGA-DSC revealed that different structures existed between them. In particular, the thermal analysis showed the exothermic temperature of ${\alpha}$-form at $155.7^{\circ}C$ while $191.6^{\circ}C$ for ${\beta}$-form. The caloric value of ${\alpha}$-form was 536.4 J/g which was 2.5 times larger than that of ${\beta}$-form, 1310 J/g. In addition, ${\alpha}$-form was steeply decomposed with one-step variation, but ${\beta}$-form followed a two-step thermal decomposition pattern.

Properties of Pb(Zr, Ti)$\textrm{O}_3$ Ferroelectric Thin Films on MgO/Si Substrate by RF Sputtering (RF 스퍼터링에 의해 MgO/Si 기판위에 증착된 Pb(Zr, Ti)$\textrm{O}_3$ 강유전체 박막의 특성연구)

  • Jang, Ho-Jeong;Seo, Gwang-Jong;Jang, Ji-Geun
    • Korean Journal of Materials Research
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    • v.8 no.12
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    • pp.1170-1175
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    • 1998
  • PZT films without lower electrode were deposited on the highly doped Si(100) substrate with MgO buffer layer (Mgo/si) by RF magnetron sputtering method followed by the rapid thermal annealing at $650^{\circ}C$ . We investigated the dependences of the crystalline and electrical properties on the MgO thickness and the RTA post annealing. The PZT films on bare Si (without MgO) showed pyrochlore crystal structure while those on MgO(50 )/Si substrates showed the typical perovskite crystal structures. From SEM and AES analysis, the thickness of PZT films was about 7000 showing relatively smooth interface. The depth profiles indicated that atomic species were distributed homogeneously in the PZT/MgO/Si substrate. The dielectric constant($\varepsilon_{r}$ ) and remanent polarization(2Pr) were about 300 and $14\mu$C/$\textrm{cm}^2$;, respectively. The leakage current was about $3.2\mu$/A$\textrm{cm}^2$.

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