• Bulletin of the Korean Chemical Society
• /
• v.34 no.11
• /
• pp.3211-3217
• /
• 2013

Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations have been employed to investigate the molecular structures and absorption spectra of three D-${\pi}$-A-type organic dyes (C1-1, D5 and TH208) containing identical ${\pi}$-spacers and electron acceptors, but different aromatic amine electron-donating groups (tetrahydroquinoline, triphenylamine and phenothiazine). The coplanar geometries indicate that the strong conjugation is formed in the dyes. The electronic structures suggest that the intramolecular charge transfer from the donor to the acceptor occurs, and the electron-donating ability of tetrahydroquinoline is stronger than those of triphenylamine and phenothiazine. The computed orbital energy levels of these dyes confirm that the electrons could be injected from the excited dyes to the semiconductor conduction band and the oxidized dyes could be reduced effectively by electrolyte. The TD-DFT results show that the CAM-B3LYP/6-31+G(d, p) is suitable for calculating the absorption spectra. The first absorption band for these dyes is assigned to the HOMO${\rightarrow}$LUMO and HOMO-1${\rightarrow}$LUMO transitions.

• Korean Journal of Materials Research
• /
• v.11 no.9
• /
• pp.759-762
• /
• 2001

Mg$_2$SnO$_4$having an inverse spinel structure was selected as a new host material of $Mn^{2+}$ activator. The luminescence of the $Mg_2$SnO$_4$:Mn phosphor prepared by the solid-state reaction were investigated under ultraviolet and low-voltage electron excitation. The Mn-doped magnesium tin oxide exhibited strong green emission with the spectrum centered at 500nm wavelength. It was explained that the green emission in $Mg_2$SnO$_4$:Mn phosphor is due to energy transfer from $^4T_1to ^6A_1\;of\; Mn^{2+}$ ion at tetrahedral site in the spinel structure. The optimum concentration of $Mn^{2+}$/ion exhibiting maximum emission intensity by the low-voltage electron excitation was 0.6mol%. ？

• Journal of the Korean Applied Science and Technology
• /
• v.22 no.4
• /
• pp.299-305
• /
• 2005

In this study, we designed color of tunable and high efficient organic materials using the quantum dynamics and the semi-empirical calculation, and applied this results to the fabrication of organic light-emitting diodes. Also we optimized the molecular structure of phosphorescent materials and the energy transfer from a host to a dye which makes organic light-emitting diodes improve. Using quantum dynamics method, the molecular structures of ligand only and the whole metal chelate were optimized, and these energy levels were calculated. From this test results, we could understand the emission mechanism of phosphors with various ligands as well as design the proper ligands reducing the T-T annihilation and the carrier lifetime. We also could design ligands with various colors using this test method.

• Journal of Information Display
• /
• v.2 no.3
• /
• pp.13-17
• /
• 2001

The manganese-doped magnesium tin oxide with spinel structure was selected as a green phosphor for FED application and was synthesized by the solid state reaction. Its luminescence properties were investigated under low-voltage electron excitation. The $Mg_2SnO_4$:Mn phosphor showed green emission with the spectrum centered at 500 nm due to energy transfer from $^4T_1$ to $^6A_1$ of $Mn^{2+}$ ion. Optimum Mn concentration was 0.6 mole % and the decay time was shorter than 10 ms.

• Bulletin of the Korean Chemical Society
• /
• v.17 no.8
• /
• pp.693-695
• /
• 1996

The steric effect on the first order hyperpolarizability of the β-nitrostyrene derivatives has been investigated by comparing the β values and the dihedral angles between the aryl and nitroalkenyl groups. In general the β value increased with the electron-donating ability of the substituent. The larger β value for 3,4-dimethoxy-β-nitrostyrene than that for p-methoxy-β-nitrostyrene has been attributed to the lower charge transfer energy for the former. The most striking substituent effect was observed in the β-methyl-β-nitrostyrene derivatives. Thus the β values for 3,4-dimethoxy- and p-methoxy derivatives of the latter decreased to near zero, probably because of the large distortion from planarity caused by the steric repulsion between the β-methyl and the aryl groups. The larger β value for p-dimethylamino-β-methyl-β-nitrostyrene has been interpreted with an increased electron-donating ability of the substituent and increased co-planarity.

• Transactions of the Korean hydrogen and new energy society
• /
• v.28 no.4
• /
• pp.419-425
• /
• 2017

In this study, an efficient dye-sensitive solar cells (DSSC) was developed after post-treatment of ZnO on $TiO_2$ photoelectrode. The $TiO_2$ electrode with ZnO post treatment was prepared with Titanium isoporopoxide in Zinc Nitrate Hexahydrate aqueous solution by incineration for 30 min at $450^{\circ}C$. The ZnO-post treated $TiO_2$ electrode showed strong dispersion force between particles in relation to the control $TiO_2$, referring high specific surface area and dye-adsorption rate. Proper addition of ZnO enhanced electron mobility and reduced internal resistance and electron recombination. Light conversion efficiency of DSSCs containing the ZnO-posttreated $TiO_2$ electrode increased 35.4% when compared to the DSSCs using $TiO_2$ electrode. It is similar to the DSSCs with $TiCl_4$ post treatment $TiO_2$ electrode. Increasing of light conversion efficiency was due to high specific surface area and dispersion force, and low dye-adsorption rate and electron recombination. Taken together, ZnO may be used as posttreatment of photoelectrode and replaced $TiCl_4$ that has high toxicity and causticity.

• Microbiology and Biotechnology Letters
• /
• v.11 no.3
• /
• pp.155-161
• /
• 1983

The effects of ultraviolet light on bacteriophage f2 were investigated to determine the inactivation kinetics and its mechanism. The 260nm light showed a little higher inactivation rate than the one of 300 nm. In this work, our main concern was whether structural and/or conformational changes in the protein capsid could occur by UV irradiation. The inactivation for the first 20 minutes irradiation was rapid with a loss of about 4 logs and followed by a slower rate during the next 40 minutes with no survival noted in the samples irradiated for 90 minutes or longer. The structural change of the protein capsid was examined by optical spectroscopic techniques and electron microscopy. The absorption spectra of the UV irradiated phages showed no detectable differences in terms of the spectral shape and intensity from the control phage. However, the fluorescence emission spectroscopic data, i.e. 1) fluorescence quenching of tryptophan residues upon irradiation of 300 nm light, 2) enhancement of fluorescence emission of ANS (8-aniline-1-naphthalene sulfonate) bound to the intact phages compared to the one in the UV-treated phages, and 3) decrease of energy transfer efficiency from tryptophan to ANS in the UV-treated samples, presented remarkable differences between the intact and UV-treated phages. Such a structural alteration was also observed by electron microscopy The UV-treated phages appeared to be broken and empty capsids. Therefore, the inactivation of the bacteriophage f2 by UV irradiation is thought to be attributed to the structural change in the protein capsid as well as damage in the viral RNA by UV irradiation.

• Journal of the Korean Chemical Society
• /
• v.55 no.6
• /
• pp.932-935
• /
• 2011

Using tetrabutyl titanate as precursor, $Eu^{3+}$ doped $TiO_2$ nano-powder was prepared by sol-gel method, the nature of luminescence of nano-powder was studied. The interaction of chlorpyrifos with $Eu^{3+}$ doped $TiO_2$ was studied by absorption and fluorescence spectroscopy. The results indicated the fluorescence intensity of $Eu^{3+}$ doped $TiO_2$ was quenched by chlorpyrifos and the quenching rate constant ($k_q$) was $1.24{\times}10^{11}\;L/mol{\cdot}s$ according to the Stern-Volmer equation. The dynamics of photoinduced electron transfer from chlorpyrifos to conduction band of $TiO_2$ nanoparticle was observed and the mechanism of electron transfer had been confirmed by the calculation of free energy change (${\Delta}G_{et}$) by applying Rehm-Weller equation as well as energy level diagram. A new rapid method for detection of chlorpyrifos was established according to the fluorescence intensity of $Eu^{3+}$ doped $TiO_2$ was proportional to chlorpyrifos concentration. The range of detection was $5.0{\times}10^{-10}-2.5{\times}10^{-7}mol/L$ and the election limit ($3{\sigma}$) was $3.2{\times}10^{-11}$ mol/L.

• Korean Journal of Metals and Materials
• /
• v.56 no.12
• /
• pp.910-914
• /
• 2018

Since catalyst technology is one of the promising technologies to improve the working performance of next generation energy and electronic devices, many efforts have been made to develop various catalysts with high efficiency at a low cost. However, there are remaining challenges to be resolved in order to use the suggested catalytic materials, such as platinum (Pt), gold (Au), and palladium (Pd), due to their poor cost-effectiveness for device applications. In this study, to overcome these challenges, we suggest a useful method to increase the surface area of a noble metal catalyst material, resulting in a reduction of the total amount of catalyst usage. By employing block copolymer (BCP) self-assembly and nano-transfer printing (n-TP) processes, we successfully fabricated sub-20 nm Pt line and cross-bar patterns. Furthermore, we obtained a highly ordered Pt cross-bar pattern on a Ni thin film and a Pt-embedded Ni thin film, which can be used as hetero hybrid alloy catalyst structure. For a detailed analysis of the hybrid catalytic material, we used scanning electron microscope (SEM), transmission electron microscope (TEM) and energy-dispersive X-ray spectroscopy (EDS), which revealed a well-defined nanoporous Pt nanostructure on the Ni thin film. Based on these results, we expect that the successful hybridization of various catalytic nanostructures can be extended to other material systems and devices in the near future.

• The Korean Journal of Ceramics
• /
• v.6 no.2
• /
• pp.129-133
• /
• 2000

Boron nitride films were synthesized with $N_2$ion flux of low energy, up to 100 eV, at different substrate temperatures of no heating, 200, 400, 500, and $800^{\circ}C$, respectively. Boron was supplied by e-beam evaporation at the rate of $1.5\AA$/sec. For all the conditions, hexagonal BN (h-BN) phase was mainly synthesized and high resolution transmission electron microscopy (HRTEM) showed that (002) planes of h-BN phase were aligned vertical to the Si substrate. The maximum alignment occurred around $400^{\circ}C$. In addition to major h-BN phase, transmission electron diffraction (TED) rings identified the formation of cubic BN (c-BN) phase. But HRTEM showed no distinct and continuous c-BN layer. These results suggest that c-BN phase may form in a scattered form even when h-BN phase is mainly synthesized under small momentum transfer by bombarding ions, which are not reconciled with the macro compressive stress model for the c-BN formation.