• The Korean Journal of Applied Statistics
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• v.36 no.4
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• pp.279-294
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• 2023

It is well known to generate synthetic data sets by the sequential regression multiple imputation (SRMI) method. The R-package synthpop are widely used for generating synthetic data by the SRMI approaches. In this paper, I suggest generating synthetic data based on the probabilistic principal component analysis (PPCA) method. Two simple data sets are used for a simulation study to compare the SRMI and PPCA approaches. Simulation results demonstrate that pairwise coefficients in synthetic data sets by PPCA can be closer to original ones than by SRMI. Furthermore, for the various data types that PPCA applications are well established, such as time series data, the PPCA approach can be extended to generate synthetic data sets.

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.615-615
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• 2013

탄소나노튜브(carbon nanotubes; CNT)는 강철보다 10~100배 견고할 뿐만 아니라 영률과 탄성률 은 각각 1.8 TPa, 1.3 TPa에 달하는 매우 우수한 기계적 강도를 지니고 있으며, 구리보다 좋은 전기 전도도와 다이아몬드의 2배에 이르는 열전도도를 지닌 물질이다. 이러한 탄소나노튜브의 우수한 특성을 이용하여 나노섬유, 고분자-탄소나노튜브의 고기능 복합체, 나노소자, 전계방출원(field emitter), 가스센서 등 다양한 분야로의 활용을 위한 연구가 진행되고 있다. 특히, 수백 ${\mu}m$ 이상의 길이로 수직 성장된 탄소나노튜브(VA-CNTs)의 합성은 길이 대 직경의 비(aspect ratio)가 비약적으로 증가하여 앞서 언급한 분야로의 활용이 더욱 유리하며, 그 중에서도 대량 생산, 나노섬유 및 나노복합체로서의 활용에 극히 유용하다. 최근에는 열 화학기상증착(thermal chemical vapor deposition; TCVD)법을 이용하여 탄소나노튜브의 구조를 제어하는 연구들이 많이 보고되고 있다. 열 화학기상증착을 이용한 수직 정렬된 탄소나노튜브의 합성에서 합성조건의 변화는 탄소나노튜브의 길이, 벽의 수, 직경, 결정성 등 구조에 큰 영향을 미친다. 탄소나노튜브는 이러한 구조에 따 라 물리적 특성이 달라지기 때문에 다양한 분야로의 응용을 위해서는 합성에 대한 근본적인 이해 가 절실히 요구된다. 본 연구에서는 열 화학기상증착법을 이용한 합성에서 성장압력의 변화에 따른 탄소나노튜브의 구조적 특성을 조사하였다. 성장압력의 변화는 탄소나노튜브의 밀도, 길이, 결정성에 큰 영향을 미치는 것을 주사전자현미경과 라만분광법을 이용하여 확인하였다. 이러한 결과 는 탄소나노튜브 박막(CNT forest)의 가장자리(edge)에 비정질 탄소(amorphous carbon)의 흡착으로 인한 나노튜브사이의 간격(intertube distance)이 좁아짐에 따른 가스공급 차단 효과로 설명이 가능 하다. 또한, 마이크로웨이브 플라즈마 화학기상증착법을 이용하여 탄소나노튜브를 합성하였다. 합성과정 중 산소(O2)를 주입 하였을 경우, 그렇지 않은 경우에 비하여 성장 속도가 증가하여 3시간 합성 시 2 mm가 넘는 수직 정렬된 탄소나노튜브를 합성 할 수 있었다. 이러한 결과는 과잉 공급 되어 탄소나노튜브로 합성되지 못하고 촉매금속의 표면과 탄소나노튜브의 벽에 비정질의 형태로 붙어있는 탄소 원자들을 추가 주입해 준 산소에 의하여 CO 또는 CO2 형태로 제거해 줌으로써 활성화된 촉매금속의 반응 시간을 향상 시켜주어 탄소공급이 원활하게 이루어졌기 때문이라 생각된다.

• New Physics: Sae Mulli
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• v.68 no.11
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• pp.1167-1172
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• 2018

Carbon nanotubes (CNTs) are structures of carbon atoms bonded together in hexagonal honeycomb shapes, with multi-walled CNTs having a very high thermal conductivity of $3000W/m{\cdot}K$ and single-walled CNTs having a conductivity of $6000W/m{\cdot}K$. In this work, the transmittance and the thermal diffusivity of a multi-walled carbon nanotube dispersion with a concentration of 1.5 M were measured using a single beam method, a dual beam method, and the thermal lens effect. The nonlinear optical coefficients were obtained by using the z-scan method, which moved the sample in the direction of propagation of the single laser beam, propagation and the thermal diffusivity was measured using a double laser beam. As a pump beam, a diode-pumped solid state (DPSS) laser with a wavelength of 532 nm and an intensity of 100 mW was used. As the probe beam, a He-Ne laser having a wavelength of 633 nm and an intensity of 5 mW was used. The experimental result shows that when the concentrations of the sample were 9.99, 11.10, 16.65, and 19.98 mM, the nonlinear absorption coefficients were 0.046, 0.051, 0.136 and 0.169 m/W, respectively. Also, the nonlinear refractive indices were 0.20, 0.51, 1.25 and $1.32{\times}10^{-11}m^2/W$, respectively, and the average thermal diffusivity was $1.33{\times}10^{-6}m^2/s$.

• The Journal of the Petrological Society of Korea
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• v.23 no.3
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• pp.239-247
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• 2014

The (U-Th)/He dating utilizes the production of alpha particles ($^4He$ atoms) during natural radioactive decays of $^{238}U$, $^{235}U$ and $^{232}Th$. (U-Th)/He age can be determined from the abundances of the parent nuclides $^{238}U$, $^{235}U$ and $^{232}Th$ and the radiogenic $^4He$. Because helium is one of the noble gases (non-reactive) with a relatively small radius, it diffuses rapidly in many geological materials, even at low temperatures. Therefore, ingrowth of $^4He$ during radioactive decay competes with diffusive loss at elevated temperatures during the geologic time scale, determining the amount of $^4He$ existing today in natural samples. For example, He diffusion in apatite is known to be very rapid compared to that in most other minerals, causing a significant diffusive loss at ${\sim}80^{\circ}C$ or higher. At ${\sim}40^{\circ}C$, He diffusion in apatite becomes slow enough to preserve most $^4He$ in the sample. Thus, an apatite's (U-Th)/He age represents the timing when the sample passed through the temperature range of $80-40^{\circ}C$. The crustal depth corresponding to this temperature range is called a "partial retention zone." Normal closure temperatures for a typical grain size and cooling rate are ${\sim}60-70^{\circ}C$ for apatite and ${\sim}200^{\circ}C$ for zircon and titanite. Because the apatite He closure temperature is lower than that of most other thermochronometers, it can provide critical constraints on relatively recent or shallow-crustal exhumation histories.

• Journal of the Korean Chemical Society
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• v.38 no.12
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• pp.873-879
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• 1994

A series of samples of solid solutions in the $Sr_xEu_{1-x}FeO_{3-y}(0.00{\leq}x{\leq}1.00)$ system has been prepared at $1200^{\circ}C$ under an atmospheric air pressure. The structures of solid solutions are studied by X-ray diffraction, thermal, Mohr salt, and Mossbauer spectroscopic analyses. Their physical properties are also discussed with the electrical conductivities. X-ray diffraction data for the compositions of x = 0.00, 0.25, and 1.00 are assigned to the orthorhombic and the compositions of x = 0.50 and 0.75 to the cubic systems. The lattice volume reduced to cubic cell increases with the x value. The mole ratio of $Fe^{4+}$ iometric chemical formulas of the system are formulated from the x, $\tau$, and y values. The mixed valency state of Fe ions, the oxygen coordination, and covalent bond character are discussed with the Mossbauer spectroscopic data. The activation enegy of the electrical conductivities depends on the $\tau$ value in the temperature range of -$100^{\circ}C$ to $600\circC$ under the air pressure. The Mossbauer spectrum and electrical conductivity of the solid solutions are discussed with nonstoichiometric chemical compositions.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.08a
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• pp.143-144
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• 2010

3-5족 화합물 반도체를 이용한 집광형 삼중 접합 태양전지는 40% 이상의 광변환 효율로 많은 주목을 받고 있다[1]. 삼중 접합 태양전지의 하부 셀은 기계적 강도가 높고 장파장을 흡수할 수 있는 Ge이 사용된다. Ge위에 성장될 III-V족 단결정막으로서 Ge과 격자상수가 일치하는 GaInP나 GaAs가 적합하고, 성장 중 V족 원소의 열확산으로 인해 Ge과 pn접합을 형성하게 된다. 이때 GaInP의 P의 경우 GaAs의 As보다 확산계수가 낮아 태양전지 변환효율향상에 유리한 얇은 접합 형성이 가능하고, 표면 에칭효과가 적기 때문에 GaInP를 단결정막으로 선택하여 p-type Ge기판 위 성장으로 단일접합 Ge구조 제작이 가능하다. 하지만 이종접합 구조 성장으로 인해 발생한 계면사이의 전위나 미세결함들이 결정막내부에 존재하게 되며 이러한 결함들은 광학소자 응용 시 비발광 센터로 작용할 뿐 아니라 소자의 누설전류를 증가시키는 원인으로 작용하여 태양전지 변환효율을 감소시키게 된다. 이에 결함감소를 통해 소자의 전기적 특성을 향상시키고자 수소 열처리나 플라즈마 공정을 통해 수소 원자를 박막내부로 확산시키고, 계면이나 박막 내 결함들과 결합시킴으로서 결함들의 비활성화를 유도하는 연구가 많이 진행되어 왔다 [2][3]. 하지만, 격자불일치를 갖는 GaInP/Ge 구조에 대한 수소 열처리 및 불순물 준위의 거동에 대한 연구는 많이 진행되어 있지 않다. 따라서 본 연구에서는 Ga0.45In0.55P/Ge구조에 수소 열처리 공정을 적용을 통하여 단결정막 내부 및 계면에서의 결함밀도를 제어하고 이를 통해 태양 전지의 변환효율을 향상시키고자 한다. <111> 방향으로 $6^{\circ}C$기울어진 p-type Ge(100) 기판 위에 유기금속화학증착법 (MOCVD)을 통해 Si이 도핑된 200 nm의 n-type GaInP층을 성장하여 Ge과 단일접합 n-p 구조를 제작하였다. 제작된 GaInP/Ge구조를 furnace에서 250도에서 90~150분간 시간변화를 주어 수소열처리 공정을 진행하였다. 저온 photoluminescence를 통해 GaInP층의 광학적 특성 변화를 관찰한 결과, 1.872 eV에서 free-exciton peak과 1.761 eV에서 Si 도펀트 saturation에 의해 발생된 D-A (Donor to Acceptor)천이로 판단되는 peak을 검출할 수 있었다. 수소 열처리 시간이 증가함에 따라 free-exciton peak 세기 증가와 반가폭 감소를 확인하였고, D-A peak이 사라지는 것을 관찰할 수 있었다. 이러한 결과는 수소 열처리에 따른 단결정막 내부의 수소원자들이 얕은 불순물(shallow impurity) 들로 작용하는 도펀트들이나, 깊은 준위결함(deep level defect)으로 작용하는 계면근처의 전위, 미세결함들과의 결합으로 결함 비활성화를 야기해 발광세기와 결정질 향상효과를 보인 것으로 판단된다. 본 발표에서는 상술한 결과를 바탕으로 한 수소 열처리를 통한 박막 및 계면에서의 결함준위의 거동에 대한 광분석 결과가 논의될 것이다.

• Journal of the Korean Chemical Society
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• v.33 no.6
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• pp.588-595
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• 1989

Log K, ${\Delta}$H and ${\Delta}$S for the complexation of $La^{3+},\;Ce^{3+}$ and $Eu^{3+}$with various multidentate ligand containing crown ether, diaza crown ether and diamine ether have been determined in methanol and acetonitril solutions at $25^{\circ}C$ by solution calorimetric titration method. The greater stability constant of $La^{3+}$-15C5 than those of 18C6 diaza [2.2] in methanol are discussed in terms of the size of metal ion and the ligand cavity and of metal ion solvation. The stabilities of $Ce^{3+}$ and $La^{3+}$ ion complexes with a various multidentate ligand in acetonitril are in the order of (diamine ether)<18C6<15C5$Ce^{3+}$, $La^{3+}$ and $Eu^{3+}$-diaza [2.2] complexes in acetonitril are increased with the following order: $Eu^{3+}$ < $La^{3+}$ < $Ce^{3+}$, that is increasing order of the optimum size and of the charge density of metal ion.

• Applied Chemistry for Engineering
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• v.20 no.2
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• pp.159-164
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• 2009

Monomers of oxetane high explosives were theoretically examined in terms of reactivity, reaction mechanism and process of polymerization substituted by azido $(-CH_2N_3)$, nitrato $(-CH_2ONO_2)$ and hydrazino $(-CH_2N_2H_3)$ which belong to the 5th class hazardous materials and have explosiveness under acid catalyst using MINDO/3, MNDO, and AMI methods for formal charge, heat of formation, and energy level. Nucleophilicity and base of oxetane high explosives could be explained by negative charge size of oxetane oxygen atom and reactivity of oxetane in the growth stage of polymerization under acid catalyzer could be expected to be governed by positive charge size of axial carbon atom and low LUMO energy of electrophile. It could be estimated that carbenium ion was more beneficial in the conversion process of oxetane high explosives than that of stabilization energy (13.90~31.02 kcal/mole) of oxonium ion. In addition, concentration of oxonium ion and carbenium ion in equilibrium state influenced mechanism and it was also estimated that $S_N1$ mechanism reacts faster than that of $S_N2$ in prepolymer growth stage considering quick equilibrium based on form and calculation of polymerization under acid catalyzer.

• Applied Chemistry for Engineering
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• v.25 no.6
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• pp.624-631
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• 2014

In this study, a new series of conjugated polymer 3-(5-(5,6-bis(octyloxy)-7-(thiophen-2-yl)benzo[c][1,2,5]thiadiazol-4-yl)thiophen-2-yl)-10-(4-(octyloxy)phenyl)-10H-phenothiazine (P1) and 3-(5-(5,6-bis(octyloxy)-7-(thiophen-2-yl)benzo[c][1,2,5]thiadiazol-4-yl)thiophen-2-yl)-10-(4-((2-ethylhexyl)oxy)phenyl)-10H-phenothiazine (P2) were synthesised and organic photovoltaics (OPVs) properties were characterized. The push-pull structure polymer consisted of phenothiazine derivative as an electron donor and benzothiadiazole derivative as an electron acceptor. The aliphatic chain substituted aromatic ring was substituted at the position of N in phenothiazine for the electron-rich and improved solubility. Excellent thermal stabilities of P1 and P2 were confirmed by measured Td values as 321.9 and $323.7^{\circ}C$, respectively and the degrees of polymerization were 4,911 (P1) and 5,294 (P2). The maximum absorption wavelength of P1 and P2 were 549 and 566 nm, respectively. The device was fabricated and the OPVs property was measured. As a result, the power efficiency of conversion for P1 and P2 were 0.96 and 0.90%, respectively.

• Journal of the Korean Chemical Society
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• v.30 no.1
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• pp.9-18
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• 1986

MNDO and STO-3G calculations were performed to determine relative stabilities of rotamers for ${\alpha}$-substituted acetones, $CH_2XCOCH_3$, X = F, Cl, OH, SH, and $NH_2$. It was found that rotamers corresponding to gauche forms are preferred for all the ${\alpha}$-substituents except for X = F and NH$_2$, for which the cis forms were the preferred ones. The stability of gauche form was dictated by the stabilizing two-orbital-two-electron interaction ${\sigma}_{cx}$-${\pi}_{co}^*$, operating uniquely in the gauche form due to the substantial vicinal overlap and energy gap narrowing between ${\sigma}_{cx}$ and ${\pi}_{co}^*$ orbitals. The energy gap narrowing was caused by the lowering of ${\pi}_{co}^*$ level due to the hyperconjugative ${\sigma}_{cx}^*$-${\pi}_{co}^*$ interactions; the red shift in the n-${\pi}^*$ transition was another effect of the relatively large ${\sigma}_{cx}^*$-${\pi}_{co}^*$ splitting. Various ${\sigma}-{\pi}$ interactions in the gauche form were found to be stronger in the third-row hetero atom system, X = Cl and SH. Interactions between nonbonding orbital on N, $n_N$ and vicinal C-C ${\sigma}$ bond were shown to be stronger in the trans than in the cis orientation.