• Bulletin of the Korean Chemical Society
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• 제34권11호
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• pp.3211-3217
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• 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.

• 한국재료학회지
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• 제11권9호
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• pp.759-762
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• 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%. ？

• 한국응용과학기술학회지
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• 제22권4호
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• pp.299-305
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• 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
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• 제2권3호
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• pp.13-17
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• 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
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• 제17권8호
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• pp.693-695
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• 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.

• 한국수소및신에너지학회논문집
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• 제28권4호
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• pp.419-425
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• 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.

• 한국미생물·생명공학회지
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• 제11권3호
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• pp.155-161
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• 1983

Bacteriophage f2에 대한 자외광선의 살균효과와 외투막 단백질의 구조에 미치는 영향을 Ray-onet photoreactor PPR-208을 사용하여 300nm의 광선으로 연구하였다. 처음 20분간의 조사에서는 약 4 log의 phage가 감소되고 그후 완만한 살균효과를 보이다가 90분 이상의 조사에서는 생존 바이러스가 발견되지 않았다. Tryptophan residue의 fluorescenve quenching, 자외선으로 조신한 phage에 부착시킨 ANS (8-anilino-1-napht-halene sulfonate)의 fluorescence emission의 감소, tryptophan에서 ANS로의 energy transfer 의 감소 등 spectroscopic technique에 의한 결과와 자외선 조사에 의하여 단백질 외투만이 파손되는 전자현미경 관찰의 결과에 의하여 자외광선은 phage f2의 외투막 단백질의 구조에 변화를 일으킨다는 것이 밝혀졌다.

• 대한화학회지
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• 제55권6호
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• pp.932-935
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• 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.

• 대한금속재료학회지
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• 제56권12호
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• pp.910-914
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• 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
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• 제6권2호
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• pp.129-133
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• 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.