• Journal of the Korean Chemical Society
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• v.55 no.2
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• pp.183-188
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• 2011

The electronic structure and properties of Ni$(C_6H_{4-n}F_n)(CO)_2$ ($C_6H_4$=benzyne, n=1-4) complexes have been investigated using hybrid density functional B3LYP theory. Both aromatic natures and nucleus independent chemical shift (NICS) of the benzyne rings have been analyzed. Among mono-, di-, and tri-fluorinated complexes, 3-F, 3,6-F, and 4-H are the most stable isomers, respectively. NICS values calculated at the several points above the ring centers are consistent with those based on the relative energies of the complexes. The atoms in molecules (AIM) analysis indicates that Ni-C bond distance is well correlated with the electron density of a ring critical point (${\rho}_{rcp}$) in all species.

• Korean Chemical Engineering Research
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• v.57 no.6
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• pp.853-860
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• 2019

In order to meet more severe environmental regulations, oxy-fuel circulating fluidized bed(CFB) boilers or ultra supercritical CFB boilers, which are a kind of process in that solid particles moves similar to fluid, have been developed in the world. In CFB power generation processes, the method to reduce or remove sulfur dioxide is in-situ desulfurization reaction via limestone directly injected into CFB boilers. However, the desulfurization efficiencies have continuously changed because limestones injected into CFB boilers are affected by various operation conditions (Bed temperature, pressure, solid circulating rate, solid holdup, residence time, and so on). In this study, a prediction method with physical and chemical properties of limestone and operation conditions of CFB boiler for in-situ desulfurization reaction in CFB boilers has developed by integrating desulfurization kinetic equations and hydrodynamics equations for CFB previously published. In particular, the prediction equation for in-situ desulfurization was modified by using experimental results from desulfurization reactions of various domestic limestones.

• Progress in Superconductivity and Cryogenics
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• v.6 no.1
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• pp.12-17
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• 2004

High critical current density. $J_c$ over $1MA/cm^2$ at 77 K in a self field was successfully achieved from the YBCO film prepared on (100) $SrTiO_3$ single-crystal substrates by the TFA-MOD process. Unlike a normal TFA-MOD process, we prepared the TFA precursor solution by dissolving YBCO powder into the trifluoroacetic acid. A significant amount of the second phases, including $BaF_2$, was observed in the films fired at $700-725^{\circ}C$ for 2 h under $P(O_2)=10^{-3}$ atm and $P(H_2O)=4.2%$, most probably due to an insufficient reaction time, and hence $T_c$ was greatly degraded. However the films fired at $750-800^{\circ}C$ for 2 h were composed of strongly c-axis oriented YBCO grams without any second phases. and exhibited the $T_c$ values of 89.5 ~ 91 K with a sharp transition. With increasing the firing temperature from 750 to $800^{\circ}C$ average grain size of YBCO was increased and grain connectivity was enhanced. The highest $J_c$ value of $1.1MA/cm^2$ was obtained from the YBCO film fired at $800^{\circ}C$.

• Journal of the Microelectronics and Packaging Society
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• v.12 no.4 s.37
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• pp.307-313
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• 2005

Electromigration behavior in the Sn96.5Ag3.0Cu0.5 solder lines was investigated and compared Sn96.5Ag3.0Cu0.5 with eutectic SnPb. Measurements were made for relevant parameters for electromigration of the solder, such as drift velocity, threshold current density, activation energy, as well as the product of diffusivity and effective charge number (DZ$\ast$). The threshold current density were measured to be $2.38{\times}10^4A/cm^2$ at $140^{\circ}C$ and the value represented the maximum current density which the SnAgCu solder can carry without electromigration damage at the stressing temperatures. The electromigration energy was measured to 0.56 eV in the temperature range of $110-160^{\circ}C$. The measured products of diffusivity and the effective charge number, DZ$\ast$ were $3.12{\times}10^{-10} cm^2/s$ at $110^{\circ}C$, $4.66{\times}10^{-10} cm^2/s$ at $125^{\circ}C$, $8.76{\times}10^{-10} cm^2/s$ at $140^{\circ}C$, $2.14{\times}10^{-9}cm^2/s$ at $160^{\circ}C$ SnPb solder existed incubation stage, while SnAgCu did not have incubation stage. It was thought that the diffusion mechanism of SnAgCu was different from that of SnPb.

• Proceedings of the Korean Vacuum Society Conference
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• 2015.08a
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• pp.183-183
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• 2015

Indium tin oxide (ITO)는 넓은 밴드갭을 가지는 n-type의 축퇴 반도체로 태양전지, 스마트윈도우, 터치 센서, organic light emitting displays (OLEDs) 등에 널리 적용된다. 최근 touch screen panels (TSPs)의 높은 전기적 특성 및 고해상도 요구에 따라 고품질 ITO 박막개발의 수요도 증가하는 추세이다. 지금까지 ITO 박막의 물성 및 기계적 특성에 관한 많은 연구가 진행되어 왔지만 ITO 초박막 에서의 근본적인 물성 변화에 대한 연구는 미흡한 실정이므로, 이러한 연구는 필수적이라 할 수 있다. ITO 초박막은 광학적 특성은 우수하나, 낮은 결정성으로 인해 전기적 특성이 나쁘다는 단점을 가지며, 이러한 ITO 박막의 결정성은 초기 박막 성장과정에 많은 영향을 받는다. ITO 박막의 초기성장과정은 핵이 생성된 후(nucleation), 각각의 위치에서 성장하게 되고(growth), 합쳐지면서(coalescence) 연속적인 막을 형성 하는데(continuous), 이러한 초기 박막 성장 과정 중에 핵 생성 밀도를 증가시키고 박막이 연속적으로 되는 두께를 감소시킨다면, 더욱 더 고품질의 ITO 초박막을 얻을 수 있을 것이다. 따라서, 본 연구에서는 박막 초기 형성 과정 중 섬들이 합체되는 두께를 최소화시키기 위하여 EMF(electromagnetic field strength) 시스템을 이용하였다. EMF 시스템은 DC 캐소드에 전자석 코일을 장착하여 전자기장을 추가로 부가한 것으로, 이를 이용할 경우 스퍼터 원자가 중성상태로 기판에 도달하는 것이 아니라, 이온화되어 Vp-Vf의 차이로 가속되어 추가적인 에너지를 공급받음으로써 기판표면상에서 확산을 촉진시키므로 박막이 연속적으로 되는 임계 두께를 감소시킬 수 있는 것으로 기대된다. 실험은 실온에서 DC 마그네트론 스퍼터링법을 이용하였으며, 유리기판위에 4, 6, 8, 10, 12, 20 nm의 두께로 ITO 박막을 제작하였다. 스퍼터링 파워는 150 W (3.29 W/cm3), 작업 압력은 0.13 Pa, 기판과 타깃 사이의 거리는 70 mm였다. 각각의 두께에서 EMF 파워 0, 5, 10, 15, 20, 25, 30 W로 인가하여 박막을 제작한 후, EMF 파워에 따른 ITO 박막의 초기 성장 과정중 표면상태를 AFM (atomic force microscope) 이미지를 통하여 관찰하였다. 또한, 두께 약 8 nm에서와 20 nm일 때의 전기적 특성 및 광학적 특성을 관찰하였으며, 두 박막 모두 EMF 파워 15 W를 인가하였을 때 그 특성이 가장 향상되는 것을 확인하였다. 이러한 결과를 통하여 박막은 초기 성장이 중요하므로, 매우 얇은 두께에서 좋은 특성을 가진 박막을 제작하여야 박막의 두께를 증가시켰을 때도 좋은 특성의 막을 얻을 수 있음을 알 수 있었다. 또한, EMF 파워를 증가시킴에 따라 자장강도를 증가시키는 것과 같은 효과 즉, 플라즈마 임피던스가 감소하는 효과를 내어 증착 중 고 에너지 입자 (Ar0, O-)에 의한 박막손상이 감소한 것으로 판단된다. 따라서 적정 EMF 파워 15 W를 인가하였을때 가장 물성이 좋은 ITO 박막을 얻을 수 있었다. 즉, EMF 시스템을 이용하여 저온 공정에서 결함농도가 적은 고품질의 ITO 초박막을 제작할 수 있었다.

• Journal of the Korean Society for Marine Environment & Energy
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• v.11 no.4
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• pp.181-190
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• 2008

To response climate change and Kyoto protocol and to reduce greenhouse gas emissions, marine geological storage of $CO_2$ is regarded as one of the most promising option. Marine geological storage of $CO_2$ is to capture $CO_2$ from major point sources(eg. power plant), to transport to the storage sites and to store $CO_2$ into the marine geological structure such as deep sea saline aquifer. To design a reliable $CO_2$ marine geological storage system, it is necessary to perform numerical process simulation using thermodynamic equation of state. The purpose of this paper is to compare and analyse the relevant equations of state including ideal, BWRS, PR, PRBM and SRK equation of state. To evaluate the predictive accuracy of the equation of the state, we compared numerical calculation results with reference experimental data. Ideal and SRK equation of state did not predict the density behavior above $29.85^{\circ}C$, 60 bar. Especially, they showed maximum 100% error in supercritical state. BWRS equation of state did not predict the density behavior between $60{\sim}80\;bar$ and near critical temperature. On the other hand, PR and PRBM equation of state showed good predictive capability in supercritical state. Since the thermodynamic conditions of $CO_2$ reservoir sites correspond to supercritical state(above $31.1^{\circ}C$ and 73.9 bar), we conclude that it is recommended to use PR and PRBM equation of state in designing of $CO_2$ marine geological storage process.