• Title/Summary/Keyword: Transition metal oxide

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Effect of B-Cation Doping on Oxygen Vacancy Formation and Migration in LaBO3: A Density Functional Theory Study

  • Kwon, Hyunguk;Park, Jinwoo;Kim, Byung-Kook;Han, Jeong Woo
    • Journal of the Korean Ceramic Society
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    • v.52 no.5
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    • pp.331-337
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    • 2015
  • $LaBO_3$ (B = Cr, Mn, Fe, Co, and Ni) perovskites, the most common perovskite-type mixed ionic-electronic conductors (MIECs), are promising candidates for intermediate-temperature solid oxide fuel cell (IT-SOFC) cathodes. The catalytic activity on MIEC-based cathodes is closely related to the bulk ionic conductivity. Doping B-site cations with other metals may be one way to enhance the ionic conductivity, which would also be sensitively influenced by the chemical composition of the dopants. Here, using density functional theory (DFT) calculations, we quantitatively assess the activation energies of bulk oxide ion diffusion in $LaBO_3$ perovskites with a wide range of combinations of B-site cations by calculating the oxygen vacancy formation and migration energies. Our results show that bulk oxide ion diffusion dominantly depends on oxygen vacancy formation energy rather than on the migration energy. As a result, we suggest that the late transition metal-based perovskites have relatively low oxygen vacancy formation energies, and thereby exhibit low activation energy barriers. Our results will provide useful insight into the design of new cathode materials with better performance.

The improvement of electrical properties of InGaZnO (IGZO)4(IGZO) TFT by treating post-annealing process in different temperatures.

  • Kim, Soon-Jae;Lee, Hoo-Jeong;Yoo, Hee-Jun;Park, Gum-Hee;Kim, Tae-Wook;Roh, Yong-Han
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.08a
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    • pp.169-169
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    • 2010
  • As display industry requires various applications for future display technology, which can guarantees high level of flexibility and transparency on display panel, oxide semiconductor materials are regarded as one of the best candidates. $InGaZnO_4$(IGZO) has gathered much attention as a post-transition metal oxide used in active layer in thin-film transistor. Due to its high mobility fabricated at low temperature fabrication process, which is proper for application to display backplanes and use in flexible and/or transparent electronics. Electrical performance of amorphous oxide semiconductors depends on the resistance of the interface between source/drain metal contact and active layer. It is also affected by sheet resistance on IGZO thin film. Controlling contact/sheet resistance has been a hot issue for improving electrical properties of AOS(Amorphous oxide semiconductor). To overcome this problem, post-annealing has been introduced. In other words, through post-annealing process, saturation mobility, on/off ratio, drain current of the device all increase. In this research, we studied on the relation between device's resistance and post-annealing temperature. So far as many post-annealing effects have been reported, this research especially analyzed the change of electrical properties by increasing post-annealing temperature. We fabricated 6 main samples. After a-IGZO deposition, Samples were post-annealed in 5 different temperatures; as-deposited, $100^{\circ}C$, $200^{\circ}C$, $300^{\circ}C$, $400^{\circ}C$ and $500^{\circ}C$. Metal deposition was done on these samples by using Mo through E-beam evaporation. For analysis, three analysis methods were used; IV-characteristics by probe station, surface roughness by AFM, metal oxidation by FE-SEM. Experimental results say that contact resistance increased because of the metal oxidation on metal contact and rough surface of a-IGZO layer. we can suggest some of the possible solutions to overcome resistance effect for the improvement of TFT electrical performances.

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A study on physical and chemical properties of chalcogenides for an aspheric lens (비구면 렌즈의 설계 및 제조를 위한 칼코게나이드계 유리의 물리적 화학적 특성 연구)

  • Ko, Jun-Bin;Kim, Jeong-Ho
    • Journal of the Korean Society of Manufacturing Technology Engineers
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    • v.19 no.3
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    • pp.388-393
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    • 2010
  • In recent years the research has been focused on the preparation of special glasses, i.e., chalcogenide and heavy metal oxide ones that can transmit optical radiation above 2 um and also other optical parameters exceed those of silica based glasses. The attention in this paper is focused on chalcogenide glasses, on preparation of high quality base glass, for an application in infrared optical product design and manufacture. The amorphous materials of As-Se and Ge-As-Se chalcogenides were prepared by a standard melt-quenching technique. The compositions were mesaured by ICP-AES and EPMA, and structural and thermal properties were studied through various annealing processes. Several anomalies of glass transition and crystallization were observed in the DSC/DTA/TG results of the chalcogenide glass.

Structural Analysis of Simulated Fission-Produced Noble Metal Alloys and Their Superconductivities

  • Park, Yong Jun;Lee, Gwang Yong;Lee, Jong Gyu;Heo, Yong Deuk;Kim, Won Ho
    • Bulletin of the Korean Chemical Society
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    • v.21 no.12
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    • pp.1187-1192
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    • 2000
  • Ternary (Mo-Ru-Pd) and binary (Mo-Ru, Mo-Pd) alloys have been prepared using an Ar arc melting furnace. Mo and the noble metals, Ru and Pd, are the constituents of metallic insoluble residues, which were found in the early days of post-irradiation studies on uranium oxide fuels. In the present study, the structure of the alloys was evaluated using a powder X-ray diffractometer. Unit cell parameters were determined by least squares refinements of powder X-ray diffraction data. Scanning electron microscopic analyses of the surface of the alloys indicated that surface morphology was dependent on the crystallographic structure as well as its composition. Measurements of the magnetic susceptibility of the alloys showed evidence of superconducting transition from 3 to 9.2 K. Among the ternary and binary alloys, the ${\sigma}-phase$ showed the highest superconducting transition temperature,~9.2 K.

Addition Effects of Alkali Metal Oxide on Some Properties of Porous Glass-Ceramics in the $CaO-TiO_2-P_2O_5$ System ($CaO-TiO_2-P_2O_5$계 다공질 결정화 유리의 물성에 미치는 알카리 금속 산화물의 첨가효과)

  • 장순규;최세영
    • Journal of the Korean Ceramic Society
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    • v.31 no.11
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    • pp.1337-1345
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    • 1994
  • Glasses in the system of 45CaO-25TiO2-30P2O5 containing 1 mole% of M2O(M=Li, Na, K) were melted and crystallized. And their crystal phases were Ca3(PO4)2, CaTi4(PO4)6, and TiO2. Porous glass-ceramics with skeleton of two crystal phase CaTi4(PO4)6 and TiO2 were prepared by selective leaching of Ca3(PO4)2 with 0.1 N-HCl. Glass transition temperature(Tg) and crystallization temperature(Tc) were decreased by addition of 1 mole% alkali metal oxide. Pore size of porous glass-ceramics was increased with increasing heat treatment temperature and its dependence on heat treatment temperature was decreased with addition of Na2O and K2O. It was found that porous glass-ceramics of parent glass and containing 1mole% M2O(M=Li, Na, K) composition had maximum specific surface area, porosity and maximum of crystallzed phase by heat treatment at 80$0^{\circ}C$, 76$0^{\circ}C$, 78$0^{\circ}C$, 80$0^{\circ}C$ respectively.

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Photocatalytic and Adsorption Properties of WO3 Nanorods Prepared by Hydrothermal Synthesis (수열합성법으로 제조된 나노막대 구조 WO3의 광촉매 효과 및 염료 흡착 반응)

  • Yu, Su-Yeol;Nam, Chunghee
    • Journal of Powder Materials
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    • v.24 no.6
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    • pp.483-488
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    • 2017
  • Transition-metal oxide semiconductors have various band gaps. Therefore, many studies have been conducted in various application fields. Among these, methods for the adsorption of organic dyes and utilization of photocatalytic properties have been developed using various metal oxides. In this study, the adsorption and photocatalytic effects of $WO_3$ nanomaterials prepared by hydrothermal synthesis are investigated, with citric acid added in the hydrothermal process as a structure-directing agent. The nanostructures of $WO_3$ are studied using transmission electron microscopy and scanning electron microscopy images. The crystal structure is investigated using X-ray diffraction patterns, and the changes in the dye concentrations adsorbed on $WO_3$ nanorods are measured with a UV-visible absorption spectrophotometer based on Beer-Lambert's law. The methylene blue (MB) dye solution is subjected to acid or base conditions to monitor the change in the maximum adsorption amount in relation to the pH. The maximum adsorption capacity is observed at pH 3. In addition to the dye adsorption, UV irradiation is carried out to investigate the decomposition of the MB dye as a result of photocatalytic effects. Significant photocatalytic properties are observed and compared with the adsorption effects for dye removal.

Analysis for Atomic Structural Deterioration and Electrochemical Properties of Li-rich Cathode Materials for Lithium Ion Batteries (리튬이차전지용 리튬과잉계 양극 산화물의 충방전 과정 중 원자 구조 열화 과정과 전기화학 특성에 대한 분석)

  • Park, Seohyeon;Oh, Pilgun
    • Applied Chemistry for Engineering
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    • v.31 no.1
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    • pp.97-102
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    • 2020
  • Recently, various degradation mechanisms of lithium secondary battery cathode materials have been revealed. As a result, many studies on overcoming the limitation of cathode materials and realizing new electrochemical properties by controlling the degradation mechanism have been reported. Li-rich layered oxide is one of the most promising cathode materials due to its high reversible capacity. However, the utilization of Li-rich layered oxide has been restricted, because it undergoes a unique atomic structure change during the cycle, in turn resulting in unwanted electrochemical degradations. To understand an atomic structure deterioration mechanism and suggest a research direction of Li-rich layered oxide, we deeply evaluated the atomic structure of 0.4Li2MnO3_0.6LiNi1/3Co1/3Mn1/3O2 Li-rich layered oxide during electrochemical cycles, by using an atomic-resolution analysis tool. During a charge process, Li-rich materials undergo a cation migration of transition metal ions from transition metal slab to lithium slab due to the structural instability from lithium vacancies. As a result, the partial structural degradation leads to discharge voltage drop, which is the biggest drawback of Li-rich materials.

Electrical Conductivity Change of (Mn, X) oxide by Anodic Deposition (Anodic deposition법으로 제조한 (Mn, X)산화물의 전기전도도 변화)

  • Kim, Bong-Seo;Lee, Dong-Yoon;Lee, Hee-Woong;Chung, Won-Sub
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2005.07a
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    • pp.386-387
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    • 2005
  • anodic deposition법으로 제조된 $MnO_2$와 (Mn, Zn) 산화물의 전도도를 측정하였다. 제조된 Mn 산화물의 조성은 XRD와 EDS를 이용하여 $MnO_2$ 와 Mn 복합산화물로 확인되었다. DV-Xa법으로 계산된 이론 전자상태 계산 결과 천이금속을 첨가하게 되면, Mn 복합 산화물의 에너지 갭이 감소하는 것으로 나타났다. anodic deposition법으로 제조된 $MnO_2$와 Mn 복합 산화물의 전기전도도를 비교하면 천이금속이 첨가된 복합 산화물의 특성이 우수한 것으로 나타났다.

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Characterization of Compacted and Pressureless Sintered Parts for Molybdenum Oxide Powder according to Hydrogen Reduction Temperature (수소 환원 온도에 따른 몰리브덴 산화물의 성형 및 상압소결특성 평가)

  • Jong Hoon Lee;Kun-Jae Lee
    • Journal of Powder Materials
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    • v.31 no.4
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    • pp.336-341
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    • 2024
  • Molybdenum, valued for its high melting point and exceptional physical and chemical properties, is studied in diverse fields such as electronics, petrochemicals, and aviation. Among molybdenum oxides, molybdenum dioxide stands out for its higher electrical conductivity than other transition metal oxides due to its structural characteristics, exhibiting metallic properties. It is applied as pellets to gas sensors, semiconductors, and secondary batteries for its properties. Thus, research on molybdenum dioxide compaction and pressureless sintering is necessary, yet research on pressureless sintering is currently insufficient. This study synthesized MoO3 powder via solution combustion synthesis and reduced it using the 3% hydrogen/argon gas mixture to investigate the effect of reduction temperature on the powder. Additionally, the reduced powder was compacted and subjected to pressureless sintering with temperature as a variable. The density and the microstructure of brown parts were analyzed and discussed.

Electrohemical and optical properties of Ta$_2$O$_5$ thin film electrolyte EC windows (Ta$_2$O$_5$ 박막전해질 EC 창의 전기화학 및 광학적 특성에 관한 연구)

  • 김용혁;백지흠;조원일;윤경석;박인철;주재백
    • Journal of the Korean institute of surface engineering
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    • v.30 no.4
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    • pp.231-238
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    • 1997
  • Tantalum oxide thin filme has an amorphous structure and a high resistivity. Its stoichiometric structure was $Ta_2O_{5.3}$ and the transmission ratio was 80%. The high resistivity of $Ta_2O_{5.3}$ thin film electrolyte made an EC windows without electrical shottness, but the bleached/colored cur rent was very low because of the low ion conductivith. Upon adding moisture into the system, the $\Delta$T increased upto 25 %. proton concentration increase was the main cases to improve optical property. The influence of adding precious or transition metal film(~100 $\AA$ thickness) in $Ta_2O_5$layer on the color change performance was observed. The metal insertion layers had formed hydroxide and they behaved as a stable proton source. The transmission diffrnece and cycle life were greatly enhanced in the case of Ti inssertion.The $\Delta$T was 50% and the cycle life was 18, 000.

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