• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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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.

• 한국원자력학회:학술대회논문집
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• 한국원자력학회 1996년도 추계학술발표회논문집(2)
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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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• 제20권3호
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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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• 제6권3호
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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.

• 대한화학회지
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• 제24권4호
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• pp.269-279
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• 1980

$t^2_2$ 전자배치를 가진 팔면체 및 일그러진 팔면체 $[V(III)A_3B_3]$형태 착물에 대한 자기모멘트를 계산하는 새로운 방법을 발전시켰다. [A 와 B = O, Cl, N, F 또는 Br]. 이 방법에 의하여 계산한 자기모멘트가 실험치와 비교적 잘 일치한다. 일그러진 팔면체 $[V(III)A_3B_3]$형태 착물의 계산한 자기모멘트는 tetragonal distortion의 크기가 증가함에 따라 감소한다. 자기모멘트에 대한 k (orbital reduction factor), $\xi'$ 및 온도의 영향을 또한 고찰하였다. 쌍극자모멘트 및 편극율에 대한 $^3T_1$ 분자궤도함수의 기여분을 계산하는 새로운 방법을 발전시켰다. 이 방법에 의하여 계산한 $^3T_1$ 분자궤도함수의 기여분은 합리적인 범위안에 들었다.

• 우주기술과 응용
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• 제2권1호
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• pp.41-51
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• 2022

큐브위성은 기존의 인공위성과 마찬가지로 지구 관측뿐만 아니라, 우주탐사 분야에도 폭넓게 활용되는 인공위성 플랫폼이다. 또한 우주 공간물리현상을 관측하기 위한 자기장관측 임무에서도 다양한 형태로 제작되어 활용되고 있다. 자기장 측정의 경우, 일반적으로 위성의 자기 교란을 최소화하기 위해 자기장측정기가 위성 몸체로부터 멀리 떨어져 있다. 그러나 큐브위성과 같은 작은 위성의 경우 공간적인 제약으로 인해 자기장 센서의 위치 설정이 제한적이다. 이에 이 논문에서는 큐브위성에서 생성된 자기장 간섭을 추정하여 자기장 측정의 신뢰성에 얼마나 영향을 줄 수 있는지 분석하였다. 주요 잡음원으로는 상대적으로 높은 소비전력을 가진 반작용 휠과 자기 토크로드를 대상으로 조사하였다. 이러한 부품의 자기 쌍극자 모멘트는 제조업체의 데이터 시트에 제공된 정보를 사용하였다. 외부 자기장이 없는 공간에서 3 U 큐브위성 중간에 위치한 자기 토크로드의 잔류 모멘트의 영향은 위성의 몸체 최 외곽 끝에서 약 36,000 nT까지 나타날 수 있음을 확인했다. 또한, 1 nT 미만의 정확한 자기장 측정의 임무라면, 자력계는 위성 본체에서 약 0.6 m 반경 거리 외곽에 있어야 함을 알 수 있었다. 이러한 분석 방법은 자기장 측정을 수행하기 위해 CubeSat을 설계할 때 자기 청결도 분석의 중요한 역할이 될 것으로 기대한다.

• 한국전기전자재료학회:학술대회논문집
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• 한국전기전자재료학회 2008년도 춘계학술대회 및 기술 세미나 논문집 디스플레이 광소자
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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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• 제46권4호
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• pp.280-284
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• 2003

농업용 살균제와 살충제로서의 활용성 진단과 예측평가 자료로 사용하기 위하여 상용화 된 살균제 133품목과 살충제 152품목의 활성 성분들에 대하여 소수성(LogP), 쌍극자능율(DM), HOMO 및 LUMO 에너지, molar refractivity(MR), polarizability(Pol), van der Waals 분자 표면적 및 부피(Vol), 분자량 및 수화 에너지(hydralion energy) 등, 10 가지의 다양한 물리-화학 파라미터들을 계산하였다. 그리고 살균제와 sterol 생합성 저해제 (DMI: demethylation inhibitor) 및 살충제와 acetylcholine esterase 저해제(AChE)이 가지는 특정한 물리-화학 파라미터들의 범위 값을 설정하였다. 그 결과에 기초하여 다양한 화합물들이 작물 보호제로서 살균제와 살충제로의 활용 가능성이 예측될 것으로 판단되었다.

• Journal of Microbiology and Biotechnology
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• 제17권11호
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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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• 한국정보디스플레이학회 2005년도 International Meeting on Information Displayvol.II
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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%.