• Title/Summary/Keyword: H atoms

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Deposition of ZrO$_2$ and TiO$_2$ Thin Films Using RF Magnet ron Sputtering Method and Study on Their Structural Characteristics

  • Shin, Y.S.;Jeong, S.H.;Heo, C.H.;Bae, I.S.;Kwak, H.T.;Lee, S.B.;Boo, J.H.
    • Journal of the Korean institute of surface engineering
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    • v.36 no.1
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    • pp.14-21
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    • 2003
  • Thin films of ZrO$_2$ and TiO$_2$ were deposited on Si(100) substrates using RF magnetron sputtering technique. To study an influence of the sputtering parameters, systematic experiments were carried out in this work. XRD data show that the $ZrO_2$ films were mainly grown in the [111] orientation at the annealing temperature between 800 and $1000^{\circ}C$ while the crystal growth direction was changed to be [012] at above $1000^{\circ}C$. FT-IR spectra show that the oxygen stretching peaks become strong due to $SiO_2$ layer formation between film layers and silicon surface after annealing, and proved that a diffusion caused by either oxygen atoms of $ZrO_2$ layers or air into the interface during annealing. Different crystal growth directions were observed with the various deposition parameters such as annealing temperature, RF power magnitude, and added $O_2$ amounts. The growth rate of $TiO_2$ thin films was increased with RF power magnitude up to 150 watt, and was then decreased due to a sputtering effect. The maximum growth rate observed at 150 watt was 1500 nm/hr. Highly oriented, crack-free, stoichiometric polycrystalline $TiO_2$<110> thin film with Rutile phase was obtained after annealing at $1000^{\circ}C$ for 1 hour.

Effect of Oxygen Addition on Residual Stress Formation of Cubic Boron Nitride Thin Films (입방정 질화붕소 박막의 잔류응력 형성에 미치는 산소 첨가 효과)

  • Jang, Hee-Yeon;Park, Jong-Keuk;Lee, Wook-Seong;Baik, Young-Joon;Lim, Dae-Soon;Jeong, Jeung-Hyun
    • Journal of the Korean institute of surface engineering
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    • v.40 no.2
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    • pp.91-97
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    • 2007
  • In this study we investigated the oxygen effect on the nucleation and its residual stress during unbalanced magnetron sputtering. Up to 0.5% in oxygen flow rate, cubic phase (c-BN) was dominated with extremely small fraction of Hexagonal phase (h-BN) of increasing trend with oxygen concentration, whereas hexagonal phase is dominated beyond 0.75% flow rate. Interestingly, the residual stress in cubic-phase-dominated films was substantially reduced with small amount of oxygen (${\sim}0.5%$) down to a low value comparable to the h-BN case. This may be because oxygen atoms break B-N $sp^3$ bonds and make B-O bonds more favorably, increasing $sp^2$ bonds preference, as revealed by FTIR and NEXAFS. It was confirmed by experimental facts that the threshold bias voltage for nucleation and growth of cubic phase were increased from -55 V to -70 V and from -50 V to -60 V respectively. The reduction of residual stress in O-added c-BN films is seemingly resulting from the microstructure of the films. The oxygen tends to increase slightly the amount of h-BN phase in the grain boundary of c-BN and the soft h-BN phase of 3D network including surrounding nano grains of cubic phase may relax the residual stress of cubic phase.

Solution Dynamics and Crystal Structure of $CpMoOs_{3}(CO)_{10}(\mu-H)_{2}[\mu_{3}-\eta^{2}-C(O)CH_{2}Tol]$

  • Joon T. Park;Jeong-Ju Cho;Kang-Moon Chun;Sock-Sung Yun;Kim SangSoo
    • Bulletin of the Korean Chemical Society
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    • v.14 no.1
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    • pp.137-143
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    • 1993
  • The tetranuclear heterometallic complex CpMo$Os_3(CO)_{10}({\mu]-H)2[{\mu}3-{\eta}^2-C(O)CH_2Tol]\;(1,\;Cp={\eta}^5-C_5H_5,\;Tol=p-C_6H_4Me)$ has been examined by variable-temperature $^{13}$C-NMR spectroscopy and by a full three-dimensional X-ray structual analysis. Complex 1 crystallizes in the orthorhombic space group Pna2$_1$ with a = 12.960(1) ${\AA}$, b = 11.255(l) ${\AA}$, c = 38.569(10)${\AA}$, V = 5626(2) ${\AA}^3$ and ${\rho}$(calcd) = 2.71 gcm$^{-3}$ for Z = 8 and molecular weight 1146.9. Diffraction data were collectedon a CAD4 diffractometer, and the structure was refined to $R_F$ = 9.7% and $R_{W^F}$ = 9.9% for 2530 data (MoK${\alpha}$ radiation). There are two essentially equivalent molecules in the crystallographic asymmetric unit. The tetranuclear molecule contains a triangulated rhomboidal arrangement of metal atoms with Os(2) and Mo at the two bridgehead positions. The metal framework is planar; the dihedral angle between Os(l)-Os(2)-Mo and Os(3)-Os(2)-Mo planes is 180$^{\circ}$. A triply bridging (${\mu}_3,\;{\eta}^2$) acyl ligand lies above the Os(l)-Os(2)-Mo plane; the oxygen atom spans the two bridgehead positions, while the carbon atom spans one bridgehead position and an acute apical position. The molecular architecture is completed by an ${\eta}^5$-cyclopentadienyl ligand and a semi-triply bridging carbonyl ligand on the molybdenum atom, and nine terminal carbonyl ligands-four on Os(3), three on Os(l), and two on Os(2). The two hydride ligands are inferred to occupy the Os(l)-Os(2) and Mo-Os(3) edges from structural and NMR data.

Surface Characteristics and Photocatalytic Propertiy of B Doped TiO2 Layer Synthesized by Plasma Electrolytic Oxidation Process (Plasma Electrolytic Oxidation 방식으로 제조된 B Doped TiO2의 표면특성과 광촉매 특성)

  • Lee, Jong-Ho;Lee, Young-Ki;Kim, Young-Jig;Oh, Han-Jun
    • Korean Journal of Materials Research
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    • v.31 no.10
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    • pp.552-561
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    • 2021
  • For the purpose of manufacturing a high efficiency TiO2 photocatalyst, B-doped TiO2 photocatalysts are synthesized using a plasma electrolytic oxidation method in 0.5 M H2SO4 electrolyte with different concentrations of H3BO3 as additive. For the B doped TiO2 layer fabricated from sulfuric electrolyte having a higher concentration of H3BO3 additive, the main XRD peaks of (101) and (200) anatase phase shift gradually toward the lower angle direction, indicating volume expansion of the TiO2 anatase lattice by incorporation of boron, when compared with TiO2 layers formed in sulfuric acid with lower concentration of additive. Moreover, XPS results indicate that the center of the binding energy peak of B1s increases from 191.45 eV to 191.98 eV, which suggests that most of boron atoms are doped interstitially in the TiO2 layer rather than substitutionally. The B doped TiO2 catalyst fabricated in sulfuric electrolyte with 1.0 M H3BO3 exhibits enhanced photocurrent response, and high efficiency and rate constant for dye degradation, which is ascribed to the synergistic effect of the new impurity energy band induced by introducing boron to the interstitial site and the improvement of charge transfer reaction.

Hydrogen Storage Properties of Mg Alloy Prepared by Incorporating Polyvinylidene Fluoride via Reactive Milling

  • Song, Myoung Youp;Kwak, Young Jun
    • Korean Journal of Metals and Materials
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    • v.56 no.12
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    • pp.878-884
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    • 2018
  • In the present work, we selected a polymer, polyvinylidene fluoride (PVDF), as an additive to improve the hydrogenation and dehydrogenation properties of Mg. 95 wt% Mg + 5 wt% PVDF (designated Mg-5PVDF) samples were prepared via milling in hydrogen atmosphere (reactive milling), and the hydrogenation and dehydrogenation characteristics of the prepared samples were compared with those of Mg milled in hydrogen atmosphere. The dehydrogenation of magnesium hydride formed in the as-prepared Mg-5PVDF during reactive milling began at 681 K. In the fourth cycle (n=4), the initial hydrogenation rate was 0.75 wt% H/min and the quantity of hydrogen absorbed for 60 min, $H_a$ (60 min), was 3.57 wt% H at 573 K and in 12 bar $H_2$. It is believed that after reactive milling the PVDF became amorphous. The milling of Mg with the PVDF in hydrogen atmosphere is believed to have produced defects and cracks. The fabrication of defects is thought to ease nucleation. The fabrication of cracks is thought to expose fresh surfaces, resulting in an increase in the reactivity of the particles with hydrogen and a decrease in the diffusion distances of hydrogen atoms. As far as we know, this investigation is the first in which a polymer PVDF was added to Mg by reactive milling to improve the hydrogenation and dehydrogenation characteristics of Mg.

Synthesis and Crystal Structure of Yttria-Stabilized Zirconia (이트리아를 첨가한 저코니아의 합성과 결정구조)

  • Kim, Won-Sa;Suh, Il-Hwan;Bak, Ro-Hak;Kim, Moon-Jib;Kim, Huhn-Jun;Lee, Chang-Hee;Kim, Yong-Che;Seong, Baek-Seok;Lee, Jeong-Soo;Shim, Hae-Seop;Kim, Yi-Kyung;Lee, Jin-Ho
    • Journal of the Korean earth science society
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    • v.18 no.6
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    • pp.553-558
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    • 1997
  • Colorless and transparent cubic zirconia($Zr_{0.73}Y_{0.27}O_{1.87}$) crystal has been synthesized by the Bridgman-Stock-bager method(also called Skull melting method). $Y_2O_3$ is used as stabilizer. The crystal shows a vitreous luster with a slight oily appearance. Under a polarizing microscope, it shows isotropic nature with no appreciable anisotropism. Mohs hardness value is measured to be $8{\sim}8\frac{1}{2}$ and specific gravity 5.85. Under ultraviolet light it shows a faint white glow. The crystal structure of yttria stabilized zirconia was determined, using single crystal X-ray diffraction techniques to be a cubic symmetry, space group $Fm\overline{3}m({O^5}_h)$ with $a=5.1552(5){\AA}$, $V=136.99(5){\AA}^3$, Z=4, and R=0.0488 for 29 unique reflections. Each zirconium atom is at the center of eight oxygen atoms situated at the corners of a surrounding cube and each oxygen atom is at the center of a tetrahedron of zirconium atoms. So a coordination of 8:4 holds in the structure.

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Crystal Structure and Thermal Stability Study on Tetrabutylammonium Hexamolybdate [n-Bu4N]2[Mo6O19](TBAM)

  • Zhao, Pu Su;Zhao, Zhan Ru;Jian, Fang Fang;Lu, Lu De
    • Journal of the Korean Chemical Society
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    • v.47 no.6
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    • pp.553-558
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    • 2003
  • The crystal structure of $[n-Bu_4N]_2[Mo_6O_{19}]$(TBAM) (n-Bu4N=tetrabutylammonium) has been determined by X-ray crystallography. It crystallizes in the monoclinic system, space group C2/c, with lattice parameters ${\alpha}$=16.314(5), b=17.288(5), c=17.776(4)${\AA}$ ${\beta}$=101.47(3), and Z=4. In $[Mo_6O{19}]^{2-}$ anion, Mo atoms occupy six vertices of octahedron and each Mo atom is coordinated by six oxygen atoms to adopt distorted octahedral coordination geometry. The average bond distance of Mo-Ot (terminal), Mo-Ob (bridged) and Mo-Oc (central) are 1.680 ${\AA}$, 1.931 ${\AA}$ and 2.325 ${\AA}$ respectively. In $[n-Bu_4N]^+$ cation, the N atom possesses a slightly distorted tetrahedral geometry. There are some potential extensive C-H ${\cdots}$ O hydrogen bonds in the lattice, by which connecte molecules and stabilize the crystal structure. Thermogravimetric analysis suggests that thermal decomposition of the title compound includes two transitions and it loses weight at 356.0 and 803.5 $^{\circ}$, respectively, and the residue presumable be $Mo_2O_2$. Accordingly, the title compound has high thermal stability.

The Thermodynamics of the Formation of Pyridine-Halogen and Interhalogens Charge Transfer Complexes (피리딘과 할로겐 또는 할로겐간 화합물 사이의 전하이동 착물생성에 관한 열역학적 연구)

  • Oh Cheun Kwun;Jin Burm Kyong;Kee Joon Choi
    • Journal of the Korean Chemical Society
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    • v.26 no.6
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    • pp.363-368
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    • 1982
  • Ultraviolet spectrophotometric investigations were carried out on the systems of pyridine with iodine, iodine monobromide and iodine monochloride in carbon tetrachloride. The results reveal the formation of the one to one molecular complexes of the type, $C_5H_5N{\cdot}I_2$, $ C_5H_5$N{\cdot}IBr and $ C_5H_5N{\cdot}ICl$. Considering ${\lambda}_max$ according to the formation of charge transfer complexes has the blue shift with the increasing temperatures$25, 40, 60^{\circ}C$ the equilibrium constants K and molar absorptivities $\varepsilon$ of complexes were obtained. From these values, the thermodynamic parameters ${\Delta}H$, ${\Delta}G$ and ${\Delta}S$ for the formation of the above charge transfer complexes were obtained. These results indicate that the relative stabilities of iodine, iodine monobromide and iodine monochloride complexes with pyridine increase in the order, $ C_5H_5N{\cdot}I_2$ < $ C_5H_5N{\cdot}IBr$ <$ C_5H_5N{\cdot}ICl$. This may be a measure of relative acidity of halogen and interhalogen toward pyridine and can be explained by the polarizabilities of electron acceptors and the difference of electronegativities of halogen atoms.

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The Crystal and Molecular Structure of (dl)-2-Benzyl-4-ethylester-5-(p-methylphenyl)-3H,5H,6H-1,2,6-thiadiazine-1,1-dioxide, $C_{20}H_{22}N_2O_4S$ ((dl)-2-Benzyl-4-ethylester-5-(p-methylphenyl)-3H,5H,6H-1,2,6-thiadiazine-1,1-dioxide, $C_{20}H_{22}N_2O_4S$의 結晶 및 分子構造)

  • Shin, Hyun-So;Kim, Euisung;Song, Hyun;Lee, Chai-Ho
    • Journal of the Korean Chemical Society
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    • v.39 no.5
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    • pp.344-349
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    • 1995
  • The crystal and molecular structure of the title compound has been determined from 2568 reflections collected on an automatic CAD4 diffractometer using graphite-monochromated $Mo-K\alpha$ radiation. The crystal is monoclinic system, space group $P2_1$ with unit cell dimensions $a=8.756(8)\AA$, $b=25.757(2)\AA$, $c=8.628(1)\AA$, $\beta=99.15(4)^{\circ}$, V= 1,921(2) ${\AA}^3$, Z=4, $D_C=1.336\;g/cm^3$, ${\mu}=1.54\;cm^{-1}\;and\;T=298^{\circ}K$. The final R factor was 0.051 for 2049 reflections over $3{\sigma}(Fο).$ The crystal has two asymmetric molecules in the unit cell. The arrangement of sulfon group was shown a distorted tetrahedron structure and N(6), N(6') atoms were deviated from the least-squares planes of the thiadiazine rings, respectively. The molecular packings in the unit cell are linked by the two intermolecular hydrogen bonds of N-H---O type and van der Waals forces.

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Growth of hexagonal Si epilayer on 4H-SiC substrate by mixed-source HVPE method (혼합 소스 HVPE 방법에 의한 4H-SiC 기판 위의 육각형 Si 에피층 성장)

  • Kyoung Hwa Kim;Seonwoo Park;Suhyun Mun;Hyung Soo Ahn;Jae Hak Lee;Min Yang;Young Tea Chun;Sam Nyung Yi;Won Jae Lee;Sang-Mo Koo;Suck-Whan Kim
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.33 no.2
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    • pp.45-53
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    • 2023
  • The growth of Si on 4H-SiC substrate has a wide range of applications as a very useful material in power semiconductors, bipolar junction transistors and optoelectronics. However, it is considerably difficult to grow very fine crystalline Si on 4H-SiC owing to the lattice mismatch of approximately 20 % between Si and 4H-SiC. In this paper, we report the growth of a Si epilayer by an Al-related nanostructure cluster grown on a 4H-SiC substrate using a mixed-source hydride vapor phase epitaxy (HVPE) method. In order to grow hexagonal Si on the 4H-SIC substrate, we observed the process in which an Al-related nanostructure cluster was first formed and an epitaxial layer was formed by absorbing Si atoms. From the FE-SEM and Raman spectrum results of the Al-related nanostructure cluster and the hexagonal Si epitaxial layer, it was considered that the hexagonal Si epitaxial layer had different characteristics from the general cubic Si structure.