• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.310-310
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• 2010

Electronic and photovoltaic characteristics of two sensitizers (TA-BTD-CA and TA-BTD-St-CA), composed of a different $\pi$-conjugation in the linker group, have been investigated by theoretical and experimental methods. The electronic structure, transition dipole moment and oscillator strengths of two sensitizers have been scrutinized by using density functional theory (DFT) and time-dependent DFT (TD-DFT) method. The LUMO level and the oscillator strength of TA-BTD-St-CA was higher than that of TA-BTD-CA, which may facilitate the electron injection process as well as increase the absorption coefficient. The relative efficiencies of the electron injection from the excited sensitizer to nanocrystalline TiO2 and SnO2 films have also been investigated by nanosecond transient absorption spectroscopy. The relative electron injection efficiency of TA-BTD-St-CA exhibited similar injection efficiency for two different semiconductors. However, in the case of TA-BTD-CA sensitizer, electron injection into SnO2 was approximately three times larger than that into TiO2. This enhancement of electron injection of TA-BTD-CA for the SnO2 is due to the increment of the driving force caused by positive shift of conduction band of semiconductor, which was also confirmed from the investigation for the photovoltaic characteristics according to the electrolyte additive, such as LiI additive.

• Proceedings of the Korean Nuclear Society Conference
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• 1996.11b
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• pp.669-674
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• 1996

The theory of quantum mechanics states that for any system there are a set of discrete physical states, quantum states, which corresponds a particular energy level of the system. The lowest energy the system can have, corresponding to its ground state, is not necessarily zero, but depends only on the precise microscopic nature of the system under consideration. At the absolute zero of temperature all systems will be in their lowest energy state (zero point energy) and as the system is warmed from OK, the higher energy states become occupied. The probability of occupancy of the excited states relative to that of the ground state is proportional to the absolute temperature. Therefore we can obtain nuclear dipole and quadrupole moment very accurately at ultra low temperature (<15mk) by NMR and from the destruction of anisotropy. The former is called LTNO/NMR and the latter is called LTNO (Low Temperature Nuclear Orientation). In this paper we discuss and introduce only an experimental apparatus with results of cooling power test, a helium dilution refrigerator, which can reache 8mK, and an actual technique for the experiment, a theory and results will be presented in another papers.

• Bulletin of the Korean Chemical Society
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• v.20 no.3
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• pp.285-290
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• 1999

In the present paper, we report a molecular dynamics (MD) simulation study for the structure and dynamics of H+ ions in non-rigid dehydrated H12-A zeolite framework at 298.15 K, using the same method we used in our previous studies of rigid and non-rigid zeolite-A frameworks. It is found that two different structures appear, depending on the choice of the Lennard-Jones parameter (σ) for the H+ ion, as is also observed in the study of rigid dehydrated H12-A zeolite framework, but the ranges of σ are different for the two structures. It is also found that some of the H+ ions exchanged their sites without changing the number of H+ ions at each site. The agreement between experimental and calculated structural parameters for non-rigid dehydrated H12-A zeolite is generally quite good. The calculated IR spectrum by Fourier transform of the total dipole moment auto-correlation function shows two major peaks, one around 2700 cm-1 and the other around 7000 cm-1. The former appears in the calculated IR spectra of non-rigid zeolite-A framework only system and the latter remains unexplained except, perhaps, as an indication of a new formation of a vibrational mode of the framework due to the adsorption of the H+ ions.

• Current Optics and Photonics
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• v.6 no.3
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• pp.337-343
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• 2022

Microfluidic chips are new devices that can manipulate liquids at the micrometer level, and terahertz (THz) time-domain spectroscopy has good applicability in biochemical detection. The combination of these two technologies can shorten the distance between sample and THz wave, reduce THz wave absorption by water, and more effectively analyze the kinetics of biochemical reactions in aqueous solutions. This study investigates the effects of different external magnetic field intensities on the THz transmission characteristics of deionized water, CuSO₄, CuCl₂, (CH₃COO)₂Cu, Na₂SO₄, NaCl, and CH₃COONa; the THz spectral intensity of the sample solutions decrease with increasing intensity of the applied magnetic field. Analysis shows that the magnetic field leads to a change in the dipole moment of water molecules in water and electrolyte solutions, which enhances not only the hydrogen-bond networking ability of water but also the hydration around ions in electrolyte solutions, increasing the number of hydrogen bonds. Increasing the intensity of this magnetic field further promotes the hydrogen-bond association between water molecules, weakening the THz transmission intensity of the solution.

• Journal of the Korean Chemical Society
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• v.24 no.4
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• pp.269-279
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• 1980

A method for calulation of the magnetic moments for both octahedral and distorted octahedral $[V(III)A_3B_3]$ type complexes, all with $t^2_2$ configuration, has been developed [A and B = O, Cl, N, F or Br]. The calculated magnetic moments by this method are in reasonable agreements with the experimental values. The calculated magnetic moments for distorted octahedral $[V(III)A_3B_3]$/TEX> type complexes decrease as the extent of tetragonal distortion increases.The effects of k (orbital reduction faction factor), $\xi'$/TEX> and temperature on the magnetic moments are also investigated.A new method for calculation of the contribution of $^3T_1$ molecular orbitals to the dipole moment and polarizability has also developed. The calculated contribution of $^3T_1$ molecular orbitals falls in the reasonable range of values.

• Journal of Space Technology and Applications
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• v.2 no.1
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• pp.41-51
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• 2022

CubeSat is a satellite platform that is widely used not only for earth observation but also for space exploration. CubeSat is also used in magnetic field investigation missions to observe space physics phenomena with various shape configurations of magnetometer instrument unit. In case of magnetic field measurement, the magnetometer instrument should be far away from the satellite body to minimize the magnetic disturbances from satellites. But the accommodation setting of the magnetometer instrument is limited due to the volume constraint of small satellites like a CubeSat. In this paper, we investigated that the magnetic field interference generated by the cube satellite was analyzed how much it can affect the reliability of magnetic field measurement. For this analysis, we used a reaction wheel and Torque rods which have relatively high-power consumption as major noise sources. The magnetic dipole moment of these parts was derived by the data sheet of the manufacturer. We have been confirmed that the effect of the residual moment of the magnetic torque located in the middle of the 3U cube satellite can reach 36,000 nT from the outermost end of the body of the CubeSat in a space without an external magnetic field. In the case of accurate magnetic field measurements of less than 1 nT, we found that the magnetometer should be at least 0.6 m away from the CubeSat body. We expect that this analysis method will be an important role of a magnetic cleanliness analysis when designing a CubeSat to carry out a magnetic field measurement.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.04a
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• pp.63-64
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• 2008

Electrokinetic motion of fullerene ($C_{60}$) particles in liquid crystal (LC) medium under an in-plane electric field has been studied for the application to the electronic paper display. Fullerenes move in the direction of applied electric field due to interaction between the induced dipole moment on $C_{60}$ and external electric field at lower threshold voltages compared to other devices such as QR-LPD (Quick Response Liquid Powder Display) and TBD (Twisting Ball Display). We also confirmed the bistability of fullerene particles in LC medium and the results showed that the 87% and 81% of original reflectance or transmittance of image was retained after 24 hours and 48 hours respectively. Our studies show the possibility that fullerenes can be used for electronic paper display.

• Applied Biological Chemistry
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• v.46 no.4
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• pp.280-284
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• 2003

To develope of diagnosis and estimation system for utility of fungicides and insecticides as crop protection agents, various 10 physicochemical parameters, hydrophobicity (LogP), dipole moment (DM), HOMO energy, LUMO energy, molar refractivity $(MR:\;cm^3/mol)$, polarizability $(Pol:\;A^3)$, van der Waals molecular surface area $(A^2)$, van der Waals molecular volume $(Vol:\;cm^3)$, molecular weight (amu), hydration energy (Kcal/mol) for the active ingredients of 133 fungicides and 152 insecticides were calculated. And then the distribution ranges for each of the physicochemical parameters in fungicides, sterol biosynthesis inhibitors (DMI: demethylation inhibitor), insecticides and acetylcholine esterase inhibitors (AChE) were confirmed. It is suggested that the various compounds based on the range of the physicochemical parametes could be predicted for possibilities as fungicides and insecticides.

• Journal of Microbiology and Biotechnology
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• v.17 no.11
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• pp.1789-1796
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• 2007

A ${\beta}$-glucosidase with the molecular mass of 160,000 Da was purified to homogeneity from cell extract of a cellulolytic bacterium, Cellulomonas uda CS1-1. The kinetic parameters ($K_m$ and $V_{max}$) of the enzyme were determined with pNP-cellooligosccharides (DP 1-5) and cellobiose. The molecular orbital theoretical studies on the cellulolytic reactivity between the pNP-cellooligosaccharides as substrate (S) molecules and the purified ${\beta}$-glucosidase (E) were conducted by applying the frontier molecular orbital (FMO) interaction theory. The results of the FMO interaction between E and S molecules verified that the first stage of the reaction was induced by exocyclic cleavage, which occurred in an electrophilic reaction based on a strong charge-controlled reaction between the highest occupied molecular orbital (HOMO) energy of the S molecule and the lowest occupied molecular orbital (LUMO) energy of the hydronium ion ($H_3O^+$), more than endocyclic cleavage, whereas a nucleophilic substitution reaction was induced by an orbital-controlled reaction between the LUMO energy of the oxonium ion ($SH^+$) protonated to the S molecule and the HOMO energy of the $H_2O_2$ molecule. A hypothetic reaction route was proposed with the experimental results in which the enzymatic acid-catalyst hydrolysis reaction of E and S molecules would be progressed via $SN_1$ and $SN_2$ reactions. In addition, the quantitative structure-activity relationships (QSARs) between these kinetic parameters showed that $K_m$ has a significant correlation with hydrophobicity (logP), and specific activity has with dipole moment, respectively.

• 한국정보디스플레이학회:학술대회논문집
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• 2005.07b
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• pp.1343-1346
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• 2005

Self assembled monolayers (SAM) are generally used at the anode/organic interface to enhance the carrier injection in organic light emitting devices, which improves the electroluminescence performance of organic devices. This paper reports the use of SAM of 1-decanethiol (H-S(CH2)9CH3) at the cathode/organic interface to enhance the electron injection process for organic light emitting devices. Aluminum (Al), tris-(8-hydroxyquionoline) aluminum (Alq3), N,N'-diphenyl-N,N'-bis(3 -methylphenyl)-1,1'- diphenyl-4,4'-diamine (TPD) and indium-tin-oxide (ITO) were used as bottom cathode, an emitting layer (EML), a hole-transporting layer (HTL) and a top anode, respectively. The results of the capacitancevoltage (C-V), current density -voltage (J-V) and brightness-voltage (B-V), luminance and quantum efficiency measurements show a considerable improvement of the device performance. The dipole moment associated with the SAM layer decreases the electron schottky barrier between the Al and the organic interface, which enhances the electron injection into the organic layer from Al cathode and a considerable improvement of the device performance is observed. The turn-on voltage of the fabricated device with SAM layer was reduced by 6V, the brightness of the device was increased by 5 times and the external quantum efficiency is increased by 0.051%.