• Analytical Science and Technology
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• v.15 no.6
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• pp.540-549
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• 2002

The arrangement of encapsulated Ar atoms in the molecular-dimensioned cavities of fully dehydrated zeolite A of unit-cell composition $Cs_3Na_8HSi_{12}Al_{12}O_{48}$ ($Cs_3$-A) has been studied crystallographically to probe the confinement effect of guest species in microporous environment. Atoms of Ar were encapsulated in the cavities of $Cs_3$-A by treatment with 410 atm of Ar at $400^{\circ}C$ for two days, followed by cooling at room temperature. The crystal structure of $Cs_3Na_8H$-A(4Ar) ($P_e$ = 410 atm, $a=12.245(2){\AA}$, $R_1=0.0543$, and $R_2=0.0552$) has been determined by single crystal X-ray diffraction technique in the cubic space group $Pm\bar{3}m$ at 21 (1) $^{\circ}C$ and 1 atm. Encapsulated Ar atoms are distributed in three crystallographic distinct positions: 1.5 Ar atoms per unit cell opposite 6-rings, 1.5 opposite four-rings in the large cavity, and finally 1.0 in the sodalite-unit. The possible structures of argon clusters, such as $Ar_2$, $Ar_3$, and $Ar_4$, are proposed.

• Journal of the Korean Applied Science and Technology
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• v.22 no.1
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• pp.28-34
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• 2005

The structure of a carbon monoxide sorption complex of dehydrated fully $Ca^{2+}$-exchanged zeolite X, $|Ca_{46}(CO)_{27}|[Si_{100}Al_{92}O_{384}]$-FAU, has been determined in the cubic space group $Fd\;{\overline{3}}$ at $21^{\circ}C$ (a = 24.970(4) ) by single-crystal X-ray diffraction techniques. The crystal was prepared by ion exchange in a flowing stream of 0.05 M aqueous ${Ca(NO_3)_2}$ for three days, followed by dehydration at $400^{\circ}C$ and $2{\times}10^{-6}$ Torr for two days, and exposure to 100 Torr of zeolitically dry carbon monoxide gas at $21^{\circ}C$. The structure was determined in this atmosphere and was refined, using the 356 reflections for which $F_o$ > $4{\sigma}(F_o)$, to the final error indices $R_1$ = 0.059 and $wR_2$ = 0.087. In this structure, $Ca^{2+}$ ions occupy three crystallographic sites. Sixteen $Ca^{2+}$ ions fill the octahedral site I at the centers of hexagonal prisms (Ca-O = 2.415(7) ${\AA}$). The remaining 30 $Ca^{2+}$ ions are found at two nonequivalent sites II (in the supercages) with occupancies of 3 and 27 ions. Each of these $Ca^{2+}$ ions coordinates to three framework oxygens, either at 2.276(10) or 2.298(8) ${\AA}$, respectively. Twenty-seven carbon monoxide molecules have been sorbed per unit cell, three per supercage. Each coordinates to one of the latter 16 site-II $Ca^{2+}$ ions: C-Ca = 2.72(8) ${\AA}$. The imprecisely determined N-C bond length, 1.26(14) ${\AA}$, differs insignificantly from that in carbon monoxide(g), 1.13 ${\AA}$.

• Journal of the Korean Chemical Society
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• v.59 no.3
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• pp.238-245
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• 2015

The crystallization and morphology change of amorphous titanias by hydrothermal treatment have been investigated. The amorphous titanias were prepared by pure water hydrolysis of two different precursors, titanium tetraisopropoxide (TTIP) and TTIP modified with acetic acid (HOAc) and characterized prior to hydrothermal treatment. In order to avoid complicate situation, the hydrothermal treatment was performed in a single solvent water with and without strong acids at various temperatures. The effects of strong acid, temperature and time were systematically investigated on the transformation of amorphous titania to crystalline TiO₂ under simple hydrothermal condition. Without strong acid the titanias were transformed into only anatase phase nanoparticle regardless of precursor type, temperature and time herein used (up to 250 ℃ and 48 hours). The treatment temperature and time effected only on the crystalline size, not on the crystal phase et al. However, it was clearly revealed that the strong acids such as HNO₃ and HCl catalyzed the formation of rutile phase depending on temperature. HCl was slightly better than HNO₃ in this catalytic activity. The morphology of rutile TiO₂ formed was also a little affected by the type of acid. The precursor modifier, HOAc slightly reduced the catalytic activity of the strong acids in rutile phase formation.

• Advances in nano research
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• v.2 no.3
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• pp.157-172
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• 2014

The three-dimensional Nano-Electronic Modeling toolkit (NEMO 3-D) is an open source software package that allows the atomistic calculation of single-particle electronic states and optical response of various semiconductor structures including bulk materials, quantum dots, impurities, quantum wires, quantum wells and nanocrystals containing millions of atoms. This paper, first, describes a software module introduced in the NEMO 3-D toolkit for the calculation of electronic bandstructure and interband optical transitions in nanowires having wurtzite crystal symmetry. The energetics (Hamiltonian) of the quantum system under study is described via the tight-binding (TB) formalism (including $sp^3$, $sp^3s^*$ and $sp^3d^5s^*$ models as appropriate). Emphasis has been given in the treatment of surface atoms that, if left unpassivated, can lead to the creation of energy states within the bandgap of the sample. Furthermore, the developed software has been validated via the calculation of: a) modulation of the energy bandgap and the effective masses in [0001] oriented wurtzite nanowires as compared to the experimentally reported values in bulk structures, and b) the localization of wavefunctions and the optical anisotropy in GaN/AlN disk-in-wire nanowires.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.243.2-243.2
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• 2016

Tungsten (W) is recently gaining attention as a potential candidate to replace Cu in semiconductor metallization due to its expected improvement in material reliability and reduced resistivity size effect. In this study, the impact of electron scattering at grain boundaries in a polycrystalline W thin film was investigated. Two nominally 300 nm-thick films, a (110)-oriented single crystal film and a (110)-textured polycrystalline W film, were prepared onto (11-20) Al2O3 substrate and thermally oxidized Si substrate, respectively in identical fabrication conditions. The lateral grain size for the polycrystalline film was determined to be $119{\pm}7nm$ by TEM-based orientation mapping technique. The film thickness was chosen to significantly exceed the electron mean free path in W (16.1 and 77.7 nm at 293 and 4.2 K, respectively), which allows the impact of surface scattering on film resistivity to be negligible. Then, the difference in the resistivity of the two films can be attributed to grain boundary scattering. quantitative analyses were performed by employing the Mayadas-Shatzkes (MS) model, where the grain boundary reflection coefficient was determined to be $0.42{\pm}0.02$ and $0.40{\pm}0.02$ at 293 K and 4.2 K, respectively.

• Journal of the Korean Ceramic Society
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• v.29 no.12
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• pp.926-934
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• 1992

Uniform diamond films in a few $\textrm{mm}^2$ size and locally isolated diamond single crystals in size of 60 $\mu\textrm{m}$ were synthesized on Si-wafer and Al2O3 substrate by the method of acetylene flame. The effects of substrate temperature and flow ratio of oxygen to acetylene on the morphology of deposited diamond were investigated. According to the observations of growth behavior of diamond on Si substrate with respect to substrate surface pretreatment and flow ratio, it was shown that well faceted diamonds could grow uniformly when flow ratio was above 0.9 and substrates were densely scratched. With increasing substrates temperature, the crystal morphology changes from octahedron bounded by only {111} plane below 850$^{\circ}C$ to cubo-octahedron with almost equal development of {111} and {100} plane in the temperature range of 850∼950$^{\circ}C$. Between 950∼1050$^{\circ}C$, the {111} faces become rough and concave. Above 1050$^{\circ}C$, new crystallites begin to grow on concave {111} surface and overall morphology looks like cubo-octahedron with degenerated {111} faces. These changes of morphology can be understood in terms of the different growth mode of each crystallographic plane with respect to the substrate temperature and supersaturation. And the observed phenomena on {111} planes can be related to the face instability and twin generation.

• Progress in Superconductivity
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• v.9 no.1
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• pp.91-95
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• 2007

[ $YBa_2Cu_3O_{7-{\delta}}$ ] films have been prepared on $LaAlO_3$ (100) single-crystal substrates by the metal organic deposition using dichloroacetate precursors (DCA-MOD). DCA precursor solutions with different composition such as; Yttrium-excess(15 at%), barium-poor(25 at%), and a stoichiometric(Y:Ba:Cu=1:2:3) were prepared in order to investigate the effects of precursor composition on the properties of YBCO films prepared by DCA-MOD method. Coated films were calcined at low temperature up to $500^{\circ}C$ in flowing humid oxygen atmosphere. Conversion heat treatment was performed $800^{\circ}C$ for 2 h in flowing Ar gas containing 1000 ppm oxygen with a humidity of 9.45%. For the film prepared using excess yttrium composition, high critical current density ($J_c$) of $>2MA/cm^2$ was obtained whereas, for the films prepared using barium-poor composition, $J_c$ was lower than $1MA/cm^2$.

• Progress in Superconductivity
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• v.7 no.2
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• pp.158-161
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• 2006

Superconducting YBCO films were successfully fabricated by MOD process using chemically modified precursor solution. In this study, a chemically modified precursor solution for MOD processing was synthesized using metal-organic salts and organic additives. It was shown that crack-free and uniform precursor films were formed after calcination in humidified Oxygen atmosphere. Less than 3 hours are required to finish the calcination process. XRD measurement shows that $BaF_2,\;CuO,\;Y_2O_3$ are major constituent of precursor films. Furthermore, YBCO films without any secondary phases were successfully fabricated after annealing in wet $Ar/O_2$ atmosphere. The YBCO film prepared on a $LaAlO_3$ single crystal substrate ($10mm{\times}10mm$) gives transport $I_c$ of 10A at 77K. This chemical modification approach is a possible candidate for improving MOD-processing of YBCO coated conductor.

• Proceedings of the KIEE Conference
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• 2005.07c
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• pp.1998-2000
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• 2005

The effects of the addition of nanocrystalline Y2O3 powder on the microstructure and superconducting properties have been investigated in YBCO films prepared by TFA-MOD process. Precursor solution doped with extra $Y_2O_3$ Powder was prepared by adding $Y_2O_3$ powder into a stoichiometic precursor solution with a cation ratio of Y:Ba:Cu=1:2:3. Coating solutions with and without $Y_2O_3$ doping were coated on $LaAlO_3(100)$ single crystal by a dip coating method, cacination and conversion heat treatments were performed at the controlled atmosphere containing water vapor Current carry capacity(Jc) of YBCO film was enhanced about 50% by $Y_2O_3$ doping. It is thought that the enhancement of Jc is due to the better connectivity of YBCO grains and/or the flux pinning by the presence of nanocrystalline $Y_2O_3$ Particles embedded in YBCO grains.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2006.12a
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• pp.107-108
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• 2006

High $J_c$ $YBa_2Cu_3O_x$, superconducting films were fabricated by MOD method using fluorine-free dichloroacetic acid(DCA) as chelating solvent for preparing precursor solution. DCA-MOD precursor solution was coated on a single crystal (001) $LaAlO_3$(LAO) substrate by a dip coating method with a speed of 25 mm/min. Coated films were calcined at lower temperature up to $500^{\circ}C$ and Conversion heat treatment was performed at various temperatures of $780{\sim}810^{\circ}C$. SEM observations showed that films have very dense microstructures for the films prepared at the temperature higher than $800^{\circ}C$ regardless of diluting solvent; methanol or 2-methoxyethanol. A High critical current density ($J_c$) of 1.28 $MA/cm^2$ (@77 K and self-field) was obtained for the YBCO film prepared using 2-methoxyethanol as a solvent.