• Journal of the Korean Chemical Society
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• v.40 no.4
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• pp.264-272
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• 1996

Cluster models of the Υ-Al2O3(111) and the Pt(111) surfaces have been used in an atom superposition and electron delocalization molecular orbital study of interfacial bond strengths between them. The reduced extents for Al3+ are due to the ratio of oxygen to aluminum atoms. The greater the reduced extent for Al3+ is, the stronger the binding energy is to Pt atoms in a cluster. The oxygen-covered surfaces of Υ-Al2O3(111) are shown to bind more weakly to Pt atoms, while the binding to the oxygen-covered surface formed under oxidizing conditions of Pt atoms is strong. The interfacial bond of platinum-alumina may be possible by a charge-transfer mechanism from the platinum surface to the partially empty O-2p band and Al3+ dangling surface orbital.

• Journal of the Korean Vacuum Society
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• v.16 no.5
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• pp.322-329
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• 2007

The interaction of oxygen with the ordered $Ni_3Al(111)$ alloy surface at 800 K and 1000 K has been investigated using LEED, STM, HREELS, UPS, and PAX. The clean $Ni_3Al(111)$ surface exhibits a "$2{\times}2$" LEED pattern corresponding to the ordered bulk-like terminated surface structure. For an adsorption of oxygen at 800 K, LEED shows an unrelated oxygen induced superstructure with a lattice spacing of $2.93\;{\AA}$ in addition to the ($1{\times}1$) substrate spots. The combined HREELS and the UPS data point to an oxygen chemisorption on threefold aluminum sites while PAX confirms an islands growth of the overlayer. Since such sites are not available on the $Ni_3Al(111)$ surface, we conclude the buildup of an oxygen covered aluminum overlayer. During oxygen exposure at 1000 K, however, we observe the growth of ${\gamma}'-Al_2O_3$ structure on the reordered $Ni_3Al(111)$ substrate surface. This structure has been identified by means of HREELS and STM. The HREELS data will show that at 800 K the oxidation shows a very characteristic behavior that cannot be described by the formation of an $Al_2O_3$ overlayer. Moreover, the STM image shows a "Strawberry" structure due to the oxide islands formation at 1000 K. Conclusively, from the oxygen interaction with $Ni_3Al(111)$ alloy surface at 800 K and 1000 K an islands growth of the aluminum oxide overlayer has been found.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.156.2-156.2
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• 2016

The variation of the surface structure of the Al adsorbed W(110) planes according to the coverage and the substrate temperature has been investigated using LEED and ISS When the Al atoms were adsorbed on the W(110) surface at room temperature, a p($1{\times}1$) of the fcc (111) face were found at the coverage higher than 4 ML. When the substrate temperature was kept at 900 K during Al adsorption and the coverage was 1.0 ML, the surface revealed a p($1{\times}1$) of the bcc(110) face and when the coverage is 1.5 ML, the surface showed a p($1{\times}1$) of the bcc (110) face together with a p($1{\times}1$) double domain structure (fcc (111) face) rotated ${\pm}3^{\circ}$ from the [100] direction of the W(110) surface. When Al atoms were adsorbed on the W(110) surface at the substrate temperature of 1000 K and the coverage was higher than 1.0 ML, the surface revealed a p($1{\times}1$) of the bcc(110) face together with p($1{\times}1$) double domain structure(fcc(111) face) rotated ${\pm}3^{\circ}{\sim}5^{\circ}$ from the [100] direction of the W(110) surface. When Al atoms were adsorbed on the W(110) surface at the substrate temperature of 1100 K and the coverage was 0.5 ML, Al atoms formed a p($2{\times}1$) double domain structure When the coverage was 1.0 ML, the double domain hexagonal structure (fcc(111) face) rotated ${\pm}5^{\circ}$ from the [100] direction of the W(110) surface and another distorted hexagonal structure was found. Low-energy electron diffraction results along with ion scattering spectroscopy results showed that the Al atoms followed the Volmer-Weber growth mode at high temperature.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2006.04a
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• pp.111-111
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• 2006

• Current Applied Physics
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• v.18 no.12
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• pp.1528-1533
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• 2018

The trajectories of adsorption and dissociation process of $O_2$ on the Al (111) surface were studied by the spinpolarized ab initio molecular dynamics method, and the adsorption activation energy was clarified by the NEB method with hybrid functionals. Three typical dissociation trajectories were found through simulation of $O_2$ molecule at different initial positions. When vertically approaches to the Al surface, the $O_2$ molecule tends to rotate, and the activation energy is 0.66eV. If $O_2$ molecule does not rotate, the activation energy will increase to 1.43 eV, and it makes the O atom enter the Al sublayer eventually. When the $O_2$ molecules parallel approach to the Al surface, there is no activation energy, due to the huge energy released during the adsorption process.

• Bulletin of the Korean Chemical Society
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• v.35 no.7
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• pp.2013-2018
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• 2014

The adsorption and decomposition of trimethylene oxide ($C_3H_6O$) molecule on the Al(111) surface were investigated by the generalized gradient approximation (GGA) of density functional theory (DFT). The calculations employed a supercell ($6{\times}6{\times}3$) slab model and three-dimensional periodic boundary conditions. The strong attractive forces between $C_3H_6O$ molecule and Al atoms induce the C-O bond breaking of the ring $C_3H_6O$ molecule. Subsequently, the dissociated radical fragments of $C_3H_6O$ molecule oxidize the Al surface. The largest adsorption energy is about -260.0 kJ/mol in V3, V4 and P2, resulting a ring break at the C-O bond. We also investigated the decomposition mechanism of $C_3H_6O$ molecules on the Al(111) surface. The activation energies ($E_a$) for the dissociations V3, V4 and P2 are 133.3, 166.8 and 174.0 kJ/mol, respectively. The hcp site is the most reactive position for $C_3H_6O$ decomposing.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2009.11a
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• pp.111-111
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• 2009

In this work, we discuss simulation of surface acoustic wave device using Comsol Multiphysics. The structure SAW device based on piezoelectric thin film aluminum-nitride (AlN) on silicon was simulated. Some parameters of SAW device such as surface velocity, displacement of piezoelectric thin film were evaluated by software. Many modes and shapes of wave are also discussed in this paper. For evaluation physical parameters of AlN piezoelectric layer, the SAW resonator was modeled and simulation results were also compared with experiment results. we simulated arid evaluated the surface Rayleigh wave of AlN thin film on silicon substrate. Results simulation and experiment showed the surface velocity of AlN thin film was about 5200 m/s and shape of surface wave was also displayed. This paper has also proposed as method to study SAW characteristic of piezoelectric thin film and found out measurement values accurately of film such as stiffness matrix, piezoelectric matrix. These values are very important in calculation and design SAW device or MEMS device based on AlN piezoelectric layer.

• Journal of the Korean Ceramic Society
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• v.31 no.3
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• pp.249-256
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• 1994

By surface structure and X-ray topographic observation, growth mechanism of NAB single crystal grown by TSSG technique using a BaB4O7 flux was studied. Surface structure of grown crystals were investigated by optical microscope. Growth history and crystal defects included within grown crystal were investigated using X-ray topography. The {001} faces were grown by 2-D nucleation growth. As decreasing cooling rate, growth mechanism of {111} and {11} was changed from 2-D nucleation growth to the growth by screw dislocation. Only surface striations developed parallel to a-axis were observed on {010} faces. Growth sector of NAB crystals were divided into {001}, {111}, {010}, {021}, {11}. The inclusion which was usually trapped between {001} faces was investigated.

• Proceedings of the KIEE Conference
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• 2003.07c
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• pp.1577-1579
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• 2003

AlN thin films are prepared on Si (111) substrate by RF magnetron sputtering. Two-step deposition method is proposed to obtain AlN thin films with high c-axis (002)-TC value and low surface roughnesses. For all the deposited AlN films, the c-axis (002)-orientation, surface mophology, and roughness are characterized in terms of deposition conditions FEAR devices with Al/AlN/Mo/Si(111) configuration are also fabricated. From the frequency response characteristics, the return loss and electromechanical coupling contant($k_t{^2}$) are estimated.

• Proceedings of the Materials Research Society of Korea Conference
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• 2003.11a
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• pp.165-165
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• 2003

The growth of GaN on Si is of great interest due to the several advantages low cost, large size and high-quality wafer availability as well as its matured technology. The crystal quality of GaN is known to be much influenced by the surface pretreatment of Si substrate [1]. In this work, the properties of GaN overlayer grown on ion implanted Si(111)and bare Si(111) have been investigated. Si(111) surface was treated ion implantation with 60KeV and dose 1${\times}$10$\^$16//$\textrm{cm}^2$ prior to film growth. GaN epilayers were grown at 1100$^{\circ}C$ for 1 hour after growing AlN buffer layers for 15-30 minutes at 1100$^{\circ}C$ with metal organic chemical vapor deposition (MOCVD). The properties of GaN epilayers were evaluated by X-Ray Diffraction (XRD), Scanning electron microscope (SEM) Photoluminescence (PL) at room temperature and Hall measurement The results showed that the GaN on ion implanted Si(111) markedly affected to the structural, optical and electrical characteristic of GaN layers.