• 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.

• Polymer(Korea)
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• v.33 no.3
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• pp.254-262
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• 2009

Nine kinds of hydroxypropyl celluloses (HPCs) with degree of substitution (DS) and molar substitution (MS) ranging from 2.10 to 2.71 and 2.3 to 6.7, respectively and seven kinds of fully butanoated HPCs (BPCs) based on the HPCs with $2.3\;{\le}\;MS\;{\le}\;6.7$ were synthesized, and the molecular characteristics of HPCs and the thermotropic liquid crystalline properties of the derivatives were investigated. MS was nearly equal to DS for small value of DS, but it became exceedly larger than DS for $DS{\gtrsim}1$, showing that in the later stages of reaction, propylene oxide preferentially adds to the side chains rather than the main chain. All the derivatives formed enantiotropic cholesteric phases with right-handed helical structures. The glass and clearing transition temperatures of both HPCs and BPCs were decreased with increasing MS. The optical pitches (${\lambda}_m'S$) of BPCs, as well as HPCs themselves, increased with increasing temperature. However, the ${\lambda}_m'S$ of both HPCs and BPCs at the same temperature increased with increasing MS. Moreover, the temperature dependence of ${\lambda}_m$ of HPCs was weaker than that of BPCs, suggesting that the helical twisting power of the cellulose chain highly depends on the length and chemical structure of the side chain introduced in cellulose chain.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.20 no.4
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• pp.173-177
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• 2010

Thermal stabilizing effect of $Yb^{3+},\;Er^{3+}$ codoping into $TiO_2$ powder prepared by sol-gel method and its upconversion characteristics were analyzed. The effect of $TiO_2:Yb^{3+},\;Er^{3+}$ ions on crystallinity and phase transition was studied by X-ray diffraction (XRD). The change of band-gap energy induced from Yb and Er codoping was analyzed by UV-Vis. The band-gap energy of $TiO_2$ have been slightly narrowed by $Yb^{3+},\;Er^{3+}$ codoping, which indicated that the $Yb^{3+},\;Er^{3+}$ ions can enhance the photo-catalytic property of $TiO_2$. green and red up-conversions of $Yb^{3+}$ and $Er^{3+}$ co-doped $Y_2O_3:Yb^{3+},\;Er^{3+}$ phosphor were analyzed by PL equipped with 980 nm laser.

• Journal of Korea Foresty Energy
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• v.22 no.3
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• pp.1-10
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• 2003

The successional status and potential natural vegetation were examined in the natural deciduous forest in Mt. Chombong area. The examination was based on the subsequent process of generation replacement by understory saplings for the dominant canopy trees within 106 20mx20m square sample plots. The transition matrix model, which was modified from mathematical theory of Markov chain, was employed to analyze the successional status of the study forest. The model suggests that study forest is still seral, and it is considered to be more than 500 years away from the steady state or climax in terms of species composition. The simulations predict a remarkable decrease in the proportion of species composition of the present dominant Quercus mongolica and Kalopanax pictus from current 42.6% and 8.1% to less than 13.3% and 0.5%, respectively, at the steady state. On the contrary, the proportions of Abies holophylla, Acer mono, Fraxinus mandshurica, Tilia amurensis, and Acer pseudo-sieboldianum will increase at the steady state. The change of predicted composition ratio was generally coincide with the result of tolerance index to be compared with the study model. The hypothesis and sensitivity of the model were also discussed to evaluate the applicability to the real situation. The overall results indicated that the present dynamics of the forest must reflect the seral state due to previous disturbance mainly by human related interference.

• Proceedings of the International Microelectronics And Packaging Society Conference
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• 2002.05a
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• pp.85-91
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• 2002

Even though electroless Hi and Sn-Ag-Cu solder are widely used materials in electronic packaging applications, interfacial reactions of the ternary Ni-Cu~Sn system have not been known well because of their complexity. Because the growth of intermetallics at the interface affects reliability of solder joint, the intermetallics in Ni-Cu-Sn system should be identified, and their growth should be investigated. Therefore, in present study, interfacial reactions between electroless Ni UB7f and 95.5Sn-4.0Ag-0.5Cu alloy were investigated focusing on morphology of the IMCs, thermodynamics, and growth kinetics. The IMCs that appear during a reflow and an aging are different each other. In early stage of a reflow, ternary IMC whose composition is Ni$_{22}$Cu$_{29}$Sn$_{49}$ forms firstly. Due to the lack of Cu diffusion, Ni$_{34}$Cu$_{6}$Sn$_{60}$ phase begins growing in a further reflow. Finally, the Ni$_{22}$Cu$_{29}$Sn$_{49}$ IMC grows abnormally and spalls into the molten solder. The transition of the IMCs from Ni$_{22}$Cu$_{29}$Sn$_{49}$ to Ni$_{34}$Cu$_{6}$Sn$_{60}$ was observed at a specific temperature. From the measurement of activation energy of each IMC, growth kinetics was discussed. In contrast to the reflow, three kinds of IMCs (Ni$_{22}$Cu$_{29}$Sn$_{49}$, Ni$_{20}$Cu$_{28}$Au$_{5}$, and Ni$_{34}$Cu$_{6}$Sn$_{60}$) were observed in order during an aging. All of the IMCs were well attached on UBM. Au in the quaternary IMC, which originates from immersion Au plating, prevents abnormal growth and separation of the IMC. Growth of each IMC is very dependent to the aging temperature because of its high activation energy. Besides the IMCs at the interface, plate-like Ag3Sn IMC grows as solder bump size inside solder bump. The abnormally grown Ni$_{22}$Cu$_{29}$Sn$_{49}$ and Ag$_3$Sn IMCs can be origins of brittle failure.failure.

• Journal of the Korean Association of Geographic Information Studies
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• v.14 no.2
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• pp.40-52
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• 2011

In this study, $CO_2$ emission quantities by spatial characteristics using GIS were investigated for building a $CO_2$ emission inventory. Eventually, this study provides the guidelines to build the urban spatial structure for reducing greenhouse gas and contributes to the transition to environmental friendly green city. The attribute data for GIS were energy (electricity and gas) usage in the city of Daegu for 2009 and used for Tier 1 as suggested by the IPCC guideline to estimate amount of $CO_2$ emission. The spatial data were built based on land use types categorized by building purposes with connecting building registers to cadastral maps for Daegu city. Spatial $CO_2$ emission quantities could be calculated by combining $CO_2$ emission inventory for energy and GIS. Also, $CO_2$ emission characteristics were different by land use types.

• Clean Technology
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• v.24 no.1
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• pp.9-14
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• 2018

In this study, Material life cycle evaluation was performed to analyze the environmental impact characteristics of TiN-Zr membrane manufacturing process. The software of MLCA was Gabi. Through this, environmental impact assessment was performed for each process. Transition metal nitrides have been researched extensively because of their properties. Among these, TiN has the most attention. TiN is a ceramic materials which possess the good combination of physical and chemical properties, such as high melting point, high hardness, and relatively low specific gravity, high wear resistance and high corrosion resistance. With these properties, TiN plays an important role in functional materials for application in separation hydrogen from fossil fuel. Precursor TiN was synthesized by sol-gel method and zirconium was coated by ball mill method. The metallurgical, physical and thermodynamic characteristics of the membranes were analyzed by using Scanning Electron Microscope (SEM), Energy Dispersive X-ray (EDS), X-ray Diffraction (XRD), Thermo Gravimetry/Differential Thermal Analysis (TG/DTA), Brunauer, Emmett, Teller (BET) and Gas Chromatograph System (GP). As a result of characterization and normalization, environmental impacts were 94% in MAETP (Marine Aquatic Ecotoxicity), 2% FAETP (Freshwater Aquatic Ecotoxicity), 2% HTP (Human Toxicity Potential). TiN fabrication process appears to have a direct or indirect impact on the human body. It is believed that the greatest impact that HTP can have on human is the carcinogenic properties. This shows that electricity use has a great influence on ecosystem impact. TiN-Zr was analyzed in Eco-Indicator '99 (EI99) and CML 2001 methodology.

• Journal of the Korean Chemical Society
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• v.18 no.4
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• pp.223-238
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• 1974

CNDO/2 MO theoretical studies and kinetic studies of halide exchange reactions for alkylchloroformates have been carried out in order to investigate structure-reactivity relationship of alkylchloroformates. From the result of energetics, it was concluded that the most stable configuration of alkylchloroformate is that in which alkyl group and chlorine are trans to each other, and that the hindered rotation about the bond between the carbonyl carbon and alkoxy-oxygen bond is attributed to the ${\pi}-$electron delocalization. It has been found that the large charge separation is due to -M effect of carbonyl and alkoxy oxygens and-I effect of chlorine. The order of rates in solvents studied was $(CH_3)_2 > CO > CH_3CN{\gg}MeOH.$$I^->Br^->Cl^-$ in protic solvent, and of Cl^->Br^- >I^-$ in dipolar aprotic solvents. Alkyl group contribution has the decreasing order of $CH_3-> C_2H-{\gg}i-C_3H_7-.$ The solvent effect has been interpreted on the basis of initial and final state contribution. A transition state model has been suggested, and it has been proposed that the most favorable mechanism is the addition-elimination. From the results of activation parameters and electronic properties, an energy profile has been proposed. Structural factors determining reactivities of alkylchloroformates have been shown to be charge, energy level of ${\alpha}^*LUMO$ to C-Cl bond and ${\alpha}^{\ast} $antibonding strength with respect to C-Cl bond in this MO. Charge and polarizability of nucleophile, and the interaction of these effects with solvent structures are also found to be important.

• Journal of Sensor Science and Technology
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• v.2 no.1
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• pp.109-115
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• 1993

A CdS single crystal was grown by using sublimation method. Lattice constants, $a_{o}$ and $c_{o}$, obtained by using extrapolation were $4.131{\underline{8}}{\AA}$ and $6.712{\underline{2}}{\AA}$, respectively. The carrier density was${\sim}10^{23}m^{-3}$ and the mobility was $2.93{\times}10^{-2}m^{2}$/V sec from measured Hall data at room temperature. The mobility has a increasing tendency in proportion to $T^{1/2}$ from 33 K to 150 K and a decreasing tendency in proportion to $T^{-2}$ from 180 K to room temperature. The short wavelength band peak measured from photocurrent was due to intrinsic transition, and the energy value of this peak was equal to the energy band gap of CdS photoconductor.

• Proceedings of the Korean Vacuum Society Conference
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• 2000.02a
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• pp.113-113
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• 2000

직접천이형 wide band gap(3.4eV) 반도체중의 하나인 GaN를 청색 및 자외선 laser diode, 고출력 전자장비 등으로 응용하기 위해서는 낮은 접합저항을 갖는 Ohmic contact이 선행되어야 한다. 그러나 만족할만한 p-type GaN의 Ohmic contact은 아직 실현되고 있지 못하며, 이는 GaN와 접합 금속과의 구체적인 반응의 연구를 필요로 한다. 본 연구에서 앞서 Pt, Pt, Ni등의 late transition metal을 p-GaN에 접합시킨 결과 이들은 접합 당시 비교적 평탄하나 후열 처리과정에서 비교적 낮은 온도에서 기판과 열팽창계수의 차이로 인하여 평탄성을 잃어버리면서 barrier height가 증가한다는 사실을 확인하였다. 따라서 본 연구에서는 이러한 열적 불안정성을 극복하기 위하여 Ni과 Pd를 차례로 증착하고 가열하면서 interfacial reaction, film morphology, Fermi level의 움직임을 monchromatic XPS(x-ray photoelectron spectroscopy) 와 SAM(scanning Auger microscopy) 그리고 ex-situ AFM을 이용하여 밝히고자 하였다. 특히 후열처리에 의한 계면 반응에 수반되는 구성 금속원소 간의 합금현상과 금속 층의 평탄성이 밀접한 관계가 있다는 것을 확인하였다. 이러한 합금과정에서 나타나는 금속원소들의 중심 준위의 이동을 체계적으로 규명하기 위해서 Pd1-xNix와 Pd1-xGax 합금들의 표준시료를 arc melting method로 만들어 농도에 따른 금속원소들의 중심 준위의 이동을 측정하여, Pd/Ni/p-GaN 및 Ni/Pd/p-GaN 계에서 열처리 온도에 따른 interfacial reaction을 확인하였다. 그 결과 두 계가 상온에서 nitride 및 alloy를 형성하지 않고 고르게 증착되고, 열처리 온도를 40$0^{\circ}C$에서 $650^{\circ}C$까지 증가시킴에 따라 계면반응의 부산물인 metallic Ga은 증가하고 있으마 nitride는 여전히 형성되지 않는 것을 확인하였다. 증착당시 Ni이 계면에 있는 Pd/Ni/p-GaN의 경우에는 52$0^{\circ}C$까지의 열처리에 의하여 Ni과 Pd가 골고루 섞이고 그 평탄성도 유지되고 barier height의 변화도 없었다. 더 높은 $650^{\circ}C$ 가열에 의해서는 surface free energy가 작은 Ga의 활발한 편석 현상으로 인해 표면은 Ga이 풍부한 Pd-Ga의 합금층으로 덮이고, 동시에 작은 pinhole들이 발생하며 barrier height도 0.3eV 가량 증가하게 된다. 반면에 증착당시 Pd이 계면에 있는 Ni/Pd/p-GaN의 경우에는 40$0^{\circ}C$의 가열까지는 두 금속이 그들 계면에서부터 섞이나, 52$0^{\circ}C$의 가열에 의해 이미 barrier height가 0.2eV 가량 증가하기 시작하였다. 더 높은 $650^{\circ}C$가열에 의해서는 커다란 pinhole, 0.5eV 가량의 barrier height 증가, Pd clustering이 동시에 관찰되었다. 따라서 Ni과 Pd의 일함수는 물론 thermal expansion coefficient가 거의 같으며 surface free energy도 거의 일치한다는 점을 감안하면, 이렇게 뚜렷한 열적 안정성의 차이는 GaN와 contact metal과의 반응시작 온도(disruption onset temperature)의 차이에 기인함을 알 수 있었다. 즉 계면에서의 반응에 의해 편석되는 Ga에 의해 박막의 strain이 이완되면, pinhole 등의 박막결함이 줄어 들고, 이는 계면의 N의 out-diffusion을 방지하여 p-type GaN의 barrier height 증가를 막게 된다.