• Proceedings of the Korean Vacuum Society Conference
• /
• 2013.02a
• /
• pp.667-667
• /
• 2013

Optimizing morphology of the front surface with three dimensional structures (3D) in solar cell is essential element for not only effectivelight harvesting but also carrier collection and separation without the cost burden in process. We designed a three-dimensionally ordered front surface with wet chemical etching. Wet chemical etching is a proper way to have three dimensional structures. The method efficiently transmits the incident light at the front surface to a Si absorber and has competitive price in manufacturing when comparing with reactive ion etching (RIE) to have three dimensional structures. This indicates that optimized front surface with three dimensional structures by wet chemical etching will bring effective light management in solar cells.

• Journal of Powder Materials
• /
• v.27 no.2
• /
• pp.132-138
• /
• 2020

A facile one-pot wet chemical process to prepare pure anatase TiO₂ hollow structures using ammonium hexafluorotitanate as a precursor is developed. By defining the formic acid ratio, we fabricate TiO₂ hollow structures containing fluorine on the surface. The TiO₂ hollow sphere is composed of an anatase phase containing fluorine by various analytical techniques. A possible formation mechanism for the obtained hollow samples by self-transformation and Ostwald ripening is proposed. The TiO₂ hollow structures containing fluorine exhibits 1.2 - 2.7 times higher performance than their counterparts in photocatalytic activity. The enhanced photocatalytic activity of the TiO₂ hollow structures is attributed to the combined effects of high crystallinity, specific surface area (62 ㎡g^-1), and the advantage of surface fluorine ions (at 8%) having strong electron-withdrawing ability of the surface ≡ Ti-F groups reduces the recombination of photogenerated electrons and holes.

• Bulletin of the Korean Chemical Society
• /
• v.24 no.11
• /
• pp.1649-1654
• /
• 2003

We have investigated substituent effect on the stabilization energies, and nucleus-independent chemical shifts of pentafulvalenes and on the electronic structures of the corresponding polypentafulvalenes to design environmentally stable semiconductive or conductive polymers. Geometrical optimizations of the molecules were carried out at the density functional level of theory with B3LYP hybrid functional and 6-311+G(d) basis set. Stabilization energies were estimated using isodesmic and homodesmotic reactions. As a criterion of aromaticity nucleus-independent chemical shifts of the molecules were computed using GIAO approach. For the polymers the geometrical parameters were optimized through AM1 band calculations and the electronic structures were obtained through modified extended Huckel band calculations. It is found that strong electronwithdrawing substituents increase isodesmic and homodesmotic stabilization energies of pentafulvalene, though it does not increase the aromaticity. Nitro-substituted pentafulvalene is estimated to have stabilization energy as much as azulene. However, substitution either with electron-donating groups or with electronwithdrawing groups does not significantly affect the electronic structures of polypentafulvalene and poly (vinylenedioxypentafulvalene).

• Journal of the Korean Chemical Society
• /
• v.60 no.2
• /
• pp.144-148
• /
• 2016

• Bulletin of the Korean Chemical Society
• /
• v.34 no.11
• /
• pp.3481-3484
• /
• 2013

• Bulletin of the Korean Chemical Society
• /
• v.17 no.1
• /
• pp.66-68
• /
• 1996

It has been found that mesoporous structures of MCM-41 and MCM-48 disintegrate readily in distilled water around 370 K, while the structures can be stable in 100%-steam of 1 atmospheric pressure at much higher temperatures around 820 K. Thus, the structure disintegration is thermodynamically more favorable in water than under the steaming condition. X-ray powder diffraction and magic angle spinning 29Si NMR spectroscopy indicate that the disintegration of the mesoporous structures in water occurs due to silicate hydrolysis.

• Bulletin of the Korean Chemical Society
• /
• v.3 no.2
• /
• pp.50-55
• /
• 1982

A study of small water clusters composed of two to seven molecules has been performed by using the revised empirical potential function for conformational analysis (REPFCA). Various structures of clusters have been investigated and the relative probability of cluster per molecule is discussed. In general, cyclic structures of water clusters are more favorable than open structures. It is found that cyclic pentamer is the most favorable unit structure in the water cluster.

• Structural Engineering and Mechanics
• /
• v.34 no.5
• /
• pp.581-595
• /
• 2010

This paper presents topology optimization of geometrically and materially nonlinear structures using a bi-directional evolutionary optimization (BESO) method. To maximum the stiffness of nonlinear structures under prescribed design load, the complementary work is selected as the objective function of the optimization. An optimal design can be obtained by gradually removing inefficient material and adding efficient ones. The proposed method can be applied to a series of geometrically and/or materially nonlinear structures. The results show considerable differences in topologies and stiffness of the optimal designs for linear and nonlinear structures. It is found that the optimal designs for nonlinear structures are much stiffer than those for linear structures when large design loads (which result in significantly nonlinear deformations) are applied.

• Bulletin of the Korean Chemical Society
• /
• v.16 no.7
• /
• pp.649-653
• /
• 1995

Solution-state structure of native F430 was determined by using NMR methods and NMR-based distance geometry (DG) computations. Structures were generated with loose NOE-derived interproton distance restraints (2.0-2.5 Å, 2.0-3.5 Å and 2.0-4.5 Å for strong, medium, and weak NOE cross-peak intensities, respectively). 2D NOESY back-calculations of structures were subsequently carried out for establishing the consistence between experimental data and DG-model structures. The back-calculated 2D NOESY spectra of resulting DG structures were well consistent with experimental 2D NOESY spectra. Superposition of 20 independent structures with macrocyclic ring atoms and all atoms of F430 afforded pairwise root mean square deviations (RMSD) of 0.025-0.125 Å and 0.64-1.3 Å, respectively. The macrocyclic rings of structures are well converged to a unique conformation with saddle-shaped deformation whereas most of side chains are not converged. The average dihedral angle (N1-N2-N3-N4, 27.78±1.50°) of 20 DG-structures exhibits that the macrocyclic ring conformation is puckered as much as 12,13-diepimeric F430 (28.75±4.07°).

• Bulletin of the Korean Chemical Society
• /
• v.33 no.5
• /
• pp.1465-1469
• /
• 2012

For given electrolytes, different behaviors of anodic aluminum oxide (AAO) and anodic titanium oxide (ATO) during electrochemical thinning are explained by ionic and electronic current modes. Branched structures are unavoidably created in AAO since the switch of ionic to electronic current is slow, whereas the barrier oxide in ATO is thinned without formation of the branched structures. In addition, pore opening can be possible in ATO if chemical etching is performed after the thinning process. The thinning was optimized for complete pore opening in ATO and potential-current behavior is interpreted in terms of ionic current-electronic current switching.