• Journal of the Korean Chemical Society
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• v.39 no.5
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• pp.329-337
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• 1995

Energetic oxetane derivatives which undergo cationic polymerizations have been investigated theoretically by using ab initio HF/3-21G calculations. We have examined structures, charges, and molecular electrostatic potentials. The ring structure of oxetane has changed significantly due to (1) the introduction of large substituents in the ring or (2) the addition of either proton or BF3. This structural change is attributed to electrostatic interactions and/or steric repulsions. The nucleophilicity and basicity of oxetane derivatives can be explained by the negative charge and the minimum electrostatic potential value of O atom. The reactivity in the polymerization can be rationalized by (1) the basicity of O atom and (2) the difference between HOMO energy of oxetanes and LUMO energy of activated oxetane polymeric chains. Our calculations predict that 3-azidomethyl-3-methyl oxetane (AMMO) is more basic than 3-nitratomethyl-3-methyl oxetane (NMMO), and AMMO is more reactive toward both AMMO and NMMO polymeric chains. Our results are in good agreement with previous experimental data.

• Journal of the Korean Ceramic Society
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• v.21 no.3
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• pp.231-238
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• 1984

Heavy metal fluoride glasses exhibit considerable promise as high transparency materials from the UV to the IR. These glasses are prepared by fusion of the mixture of metal fulorides($ZrF_4$, $BaF_2$, $LaF_3$ etc) at 800-1, 00$0^{\circ}C$ under the inert$(N_2)$ or reactive ($CCl_4$, $Cl_2$) atmosphere following the casting into glass on cooling. Infrared absorption at the 3, 400 cm-1 -OH peak has been measured as a function of thickness for several ZrF-$BaF_2$-LaF and $HfF_4$-$BaF_2$-$LaF_3$ glasses to separate contributions from bulk and surface -OH. For glasses melted under $CCl_4$ reactive atmosphere the peak is due almost entirely to surface-OH. and melting in a closed reactor was best for removing -OH. In ambient atmosphere the -OH peak exhibited no time dependence over a 30 d period indicating a very small rate of surface attack by atmospheric H2O. Removal of -OH absorption processing was generally easier and more complete for the $BaF_2$/ThF4-glasses than for the $ZrF_4$-or $HfF_4$-based glasses.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.06a
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• pp.15-15
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• 2008

산화물 반도체가 실리콘 기반의 기술을 대체할 새로운 기술로써 주목을 받기 시작하면서, 산화아연을 이용한 박막트랜지스터가 많은 주목을 받고 있다. 여기에 기존의 $SiO_2$를 대체할 새로운 High-k Material에 대한 연구 또한 진행되고 있는데, 이들의 가장 큰 문제점중 하나는 Interface Charge Trap이며, 그에 따른 결과로 히스테리시스 특성이 나타나게 되고, 이는 소자의 신뢰성에 큰 걸림돌이 되고 있다. 이번 연구에서는, High-k Material들 중의 하나인, $HfO_2$를 게이트 절연막으로 사용함에 있어서 Interface Charge Trap이 발생하는 문제를 해결하고자 하며, Low-k Material중에서 비교적 높은 유전상수를 갖는 $Al_2O_3$를 Buffer Layer로써 사용하여, 히스테리시스 특성을 향상 시켰다.

• Proceedings of the Materials Research Society of Korea Conference
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• 2012.05a
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• pp.110.1-110.1
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• 2012

Recently, advances in ZnO based oxide semiconductor materials have accelerated the development of thin-film transistors (TFTs), which are the building blocks for active matrix flat-panel displays including liquid crystal displays (LCD) and organic light-emitting diodes (OLED). However, the electrical performances of oxide semiconductors are significantly affected by interactions with the ambient atmosphere. Jeong et al. reported that the channel of the IGZO-TFT is very sensitive to water vapor adsorption. Thus, water vapor passivation layers are necessary for long-term current stability in the operation of the oxide-based TFTs. In the present work, $Al_2O_3$ and $TiO_2$ thin films were deposited on poly ether sulfon (PES) and $SnO_x$-based TFTs by electron cyclotron resonance atomic layer deposition (ECR-ALD). And enhancing the WVTR (water vapor transmission rate) characteristics, barrier layer structure was modified to $Al_2O_3/TiO_2$ layered structure. For example, $Al_2O_3$, $TiO_2$ single layer, $Al_2O_3/TiO_2$ double layer and $Al_2O_3/TiO_2/Al_2O_3/TiO_2$ multilayer were studied for enhancement of water vapor barrier properties. After thin film water vapor barrier deposited on PES substrate and $SnO_x$-based TFT, thin film permeation characteristics were three orders of magnitude smaller than that without water vapor barrier layer of PES substrate, stability of $SnO_x$-based TFT devices were significantly improved. Therefore, the results indicate that $Al_2O_3/TiO_2$ water vapor barrier layers are highly proper for use as a passivation layer in $SnO_x$-based TFT devices.

• Journal of the Korean institute of surface engineering
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• v.43 no.4
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• pp.180-186
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• 2010

$TiO_2$ nanotubes were formed on Ti by anodizing in 1 M $H_3PO_4$ + 0.3 M HF and 0.1 M $NH_4F$ + 2% $H_2O$ in ethylene glycol, and their surface and cross-sectional morphologies were observed using FE-SEM as a function of anodizing time and applied voltage. The cross-section of the $TiO_2$ nanotubes was readily observed from the small pieces of nanotubes remaining near the scratch lines after scratching of the anodized surface. $TiO_2$ nanotubes was observed to grow faster and thicker in non-aqueous solution than in aqueous solution. Diameter of $TiO_2$ nanotubes was proportional to the applied voltage, irrespective of the type of the electrolyte, and it is recommended to use non-aqueous solutions for the preparation of larger diameter of $TiO_2$ nanotubes.

• Economic and Environmental Geology
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• v.40 no.6
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• pp.727-738
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• 2007

The present study investigation the geochemical characteristics of the stream sediments in the Unbong area was conducted to enable a understanding the natural background and a prediction the prospects of geochemical disaster as a result of that bed rocks(mylonitic granites, Kim et al., 1992). We systematically collected seventy three stream sediments samples by wet sieving along the primary channels. Major, trace and rare earth element(REE) concentrations, combined with mineralogical characteristics, were determined by XRD, XRF, ICP-AES and NAA analysis methods. Major element concentrations for the stream sediments in the Unbong area were $SiO_2\;36.94{\sim}65.39wt.%,\;Al_2O_3\;10.15{\sim}21.77wt.%,\;Fe_2O_3\;3.17{\sim}10.90wt.%,\;CaO\;0.55{\sim}5.27wt.%,\;MgO\;0.52{\sim}4.94wt.%,\;K_2O\;1.38{\sim}4.54wt.%,\;Na_2O\;0.49{\sim}3.36wt.%,\;TiO_2\;0.39{\sim}1.27wt.%,\;MnO\;0.04{\sim}0.22wt.%,\;P_2O_5\;0.08{\sim}0.54wt.%$. Trace and REE concentrations for the stream sediments were $Cu\;4.8{\sim}134ppm,\;Pb\;24.2{\sim}82.5ppm,\;Sr\;95.9{\sim}739ppm,\;V\;19.9{\sim}124ppm,\;Zr\;52.9{\sim}145ppm,\;Li\;25.2{\sim}3.3ppm,\;Co\;3.87{\sim}50.0ppm,\;Cr\;17.4{\sim}234ppm,\;Hf\;3.93{\sim}25.2ppm,\;Sc\;4.60{\sim}20.6ppm,\;Th\;3.82{\sim}36.9ppm,\;Ce\;45.7{\sim}243ppm,\;Eu\;0.89{\sim}2.69ppm,\;Yb\;1.42{\sim}5.18ppm$. According to the comparison of average major element concentrations, CaO, $Na_2O\;and\;K_2O$ contents are higher in stream sediments than in bed rocks(mylonitic granites, Kim et al., 1992) $Al_2O_3\;and\;SiO_2$ contents show good correlation both stream sediments and bed rocks(mylonitic granites, Kim et al., 1992). Yb and Eu in the stream sediments show a positive correlation with $SiO_2$. In contrast, the stream sediments display a negative correlation.

• Journal of Electrochemical Science and Technology
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• v.8 no.2
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• pp.101-106
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• 2017

$Li_2SiO_3$ was used as a coating material to improve the electrochemical performance of $Li[Ni_{0.8}Co_{0.15}Al_{0.05}]O_2$. $Li_2SiO_3$ is not only a stable oxide but also an ionic conductor and can, therefore, facilitate the movement of lithium ions at the cathode/electrolyte interface. The surface of the $Li_2SiO_3$-coated $Li[Ni_{0.8}Co_{0.15}Al_{0.05}]O_2$ was covered with island-type $Li_2SiO_3$ particles, and the coating process did not affect the structural integrity of the $Li[Ni_{0.8}Co_{0.15}Al_{0.05}]O_2$ powder. The $Li_2SiO_3$ coating improved the discharge capacity and rate capability; moreover, the $Li_2SiO_3$-coated electrodes showed reduced impedance values. The surface of the lithium-ion battery cathode is typically attacked by the HF-containing electrolyte, which forms an undesired surface layer that hinders the movement of lithium ions and electrons. However, the $Li_2SiO_3$ coating layer can prevent the undesired side reactions between the cathode surface and the electrolyte, thus enhancing the rate capability and discharge capacity. The thermal stability of $Li[Ni_{0.8}Co_{0.15}Al_{0.05}]O_2$ was also improved by the $Li_2SiO_3$ coating.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.25 no.2
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• pp.125-128
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• 2012

We fabricated the electrolyte-insulator-semiconductor (EIS) devices with various high-k sensing membranes to realize a high quality pH sensor. The sensing properties of each high-k dielectric material were compared with those of conventional $SiO_2$ (O) and $SiO_2/Si_3N_4$ (ON) membranes. As a result, the high-k sensing membranes demonstrated better sensitivity and stability than the O and ON membranes. Especially, the $SiO_2/HfO_2$ (OH) stacked layer showed a high sensitivity and the $SiO_2/Al_2O_3$ (OA) stacked layer exhibited an excellent chemical stability. In conclusion, the high-k sensing membranes are expected to have excellent operating characteristics in terms of sensitivity and chemical stability for the biosensor application.

• Bulletin of the Korean Chemical Society
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• v.20 no.10
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• pp.1177-1180
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• 1999

The ab initio SCF MO and density functional theory (DFT) studies are carried out on the electrophilic (1a) and electron transfer (1b) addition reactions to the vinyl double bond of aryl vinyl sulfides and ethers. In the electrophilic addition processes, a double bond shift from C3 = C4 to X = C3 occurs with occupation number (1.97) close to the normal two. Due to this shift direct conjugation between the cationic center, X = S or O, and the para electron-donor substituent becomes impossible so that the reaction energies (or log K) are correlated with σ rather than σ+. By contrast, radical cation formation leads to delocalization of the SOMO, a lone-pair πorbital on X, with four major resonance structures in which cationic charge as well as spin density is delocalized over C4 , X and C7 atoms. As a result, partial πbonds are formed over C1 -X and C3 - C4 with occupation numbers (0.82) lower than one. In two of the cannonical structures, III(Ⅹ) and III(X+), direct conjugation between the cationic center, X, and the para substituent is achieved so that a better correlation with σ+ rather than σis obtained. The SCF MO energies at the HF/3-21G* and HF/6-31G* levels lead to very much inferior Hammett correlations in the σ/ σ+ diagnostic criterion. In contrast, the ρvalues evaluated with the DFT energies can give reliable diagnostic distinction between the two addition mechanisms.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.264-264
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• 2016

최근에 charge trap flash (CTF) 기술은 절연막에 전하를 트랩과 디트랩 시킬 때 인접한 셀 간의 간섭현상을 최소화하여 오동작을 줄일 수 있으며 낸드 플래시 메모리 소자에 적용되고 있다. 낸드 플래시 메모리는 고집적화, 대용량화와 비휘발성 등의 장점으로 인해 핸드폰, USB, MP3와 컴퓨터 등에 이용되고 있다. 기존의 실리콘 기반의 플래시 메모리 소자는 좁은 밴드갭으로 인해 투명하지 않고 고온에서의 공정이 요구되는 문제점이 있다. 따라서, 이러한 문제점을 개선하기 위해 실리콘의 대체 물질로 산화물 반도체 기반의 플래시 메모리 소자들이 연구되고 있다. 산화물 반도체 기반의 플래시 메모리 소자는 넓은 밴드갭으로 인한 투명성을 가지고 있으며 저온에서 공정이 가능하여 투명하고 유연한 기판에 적용이 가능하다. 다양한 산화물 반도체 중에서 비정질 In-Ga-Zn-O (a-IGZO)는 비정질임에도 불구하고 우수한 전기적인 특성과 화학적 안정성을 갖기 때문에 많은 관심을 받고 있다. 플래시 메모리의 고집적화가 요구되면서 절연막에 high-k 물질을 atomic layer deposition (ALD) 방법으로 적용하고 있다. ALD 방법을 이용하면 우수한 계면 흡착력과 균일도를 가지는 박막을 정확한 두께로 형성할 수 있는 장점이 있다. 또한, high-k 물질을 절연막에 적용하면 높은 유전율로 인해 equivalent oxide thickness (EOT)를 줄일 수 있다. 특히, HfOx와 AlOx가 각각 trap layer와 blocking layer로 적용되면 program/erase 동작 속도를 증가시킬 수 있으며 넓은 밴드갭으로 인해 전하손실을 크게 줄일 수 있다. 따라서 본 연구에서는 ALD 방법으로 AlOx와 HfOx를 게이트 절연막으로 적용한 a-IGZO 기반의 thin-film transistor (TFT) 플래시 메모리 소자를 제작하여 메모리 특성을 평가하였다. 제작 방법으로는, p-Si 기판 위에 열성장을 통한 100 nm 두께의 SiO2를 형성한 뒤, 채널 형성을 위해 RF sputter를 이용하여 70 nm 두께의 a-IGZO를 증착하였다. 이후에 소스와 드레인 전극에는 150 nm 두께의 In-Sn-O (ITO)를 RF sputter를 이용하여 증착하였고, ALD 방법을 이용하여 tunnel layer에 AlOx 5 nm, trap layer에 HfOx 20 nm, blocking layer에 AlOx 30 nm를 증착하였다. 최종적으로, 상부 게이트 전극을 형성하기 위해 electron beam evaporator를 이용하여 platinum (Pt) 150 nm를 증착하였고, 계면 결함을 최소화하기 위해 퍼니스에서 질소 가스 분위기, $400^{\circ}C$, 30 분의 조건으로 열처리를 했다. 측정 결과, 103 번의 program/erase를 반복한 endurance와 104 초 동안의 retention 측정으로부터 큰 열화 없이 메모리 특성이 유지되는 것을 확인하였다. 결과적으로, high-k 물질과 산화물 반도체는 고성능과 고집적화가 요구되는 향후 플래시 메모리의 핵심적인 물질이 될 것으로 기대된다.