• Title/Summary/Keyword: $A1_2O_3-SiO_2$

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Monte Carlo Simulations and DFT Studies of the Structural Properties of Silicon Oxide Clusters Reacting with a Water Molecule

  • Jisu Lee;Gyun-Tack Bae
    • Journal of the Korean Chemical Society
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    • v.67 no.5
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    • pp.333-338
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    • 2023
  • In this study, the H2O reaction with SiO clusters was investigated using ab initio Monte Carlo simulations and density functional theory calculations. Three chemistry models, PBE1/DGDZVP (Model 1), PBE1/DGDZVP (Si atom), and aug-cc-pVDZ (O and H atoms), (Model 2) and PBE1/aug-cc-pVDZ (Model 3), were used. The average bond lengths, as well as the relative and reaction energies, were calculated using Models 1, 2, and 3. The average bond lengths of Si-O and O-H are 1.67-1.75 Å and 0.96-0.97 Å, respectively, using Models 1, 2, and 3. The most stable structures were formed by the H transfer from an H2O molecule except for Si3O3-H2O-1 cluster. The Si3O3 cluster with H2O exhibited the lowest reaction energy. In addition, the Bader charge distributions of the SinOn and (SiO)n-H2O clusters with n = 1-7 were calculated using Model 1. We determined that the reaction sites between H2O and the SiO clusters possessed the highest fraction of electrons.

Fabrication of La2O3-TiO2-SiO2 System Glass Derived from a Sol-Gel Process

  • Iwasaki, Mitsunobu;Masaki, Hitoshi;Ito, Seishiro;Park, Won-Kyu
    • Journal of the Korean Ceramic Society
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    • v.44 no.3 s.298
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    • pp.137-141
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    • 2007
  • $La_{2}O_{3}-TiO_{2}-SiO_{2}$ glass, a type that could not obtained so far by the conventional melting method, was prepared successfully using a sol gel process. Glass derived with the sol-gel process has compositions of $5La_{2}O_{3}-5TiO_{2}-90SiO_{2},\;5La_{2}O_{3}-10TiO_{2}-85SiO_{2}$, and $5La_{2}O_{3}-20TiO_{2}75SiO_{2}$. The UV-visible absorption edge of all glass compositions was below 400 nm. The measured density is in the range of 2.55-2.89, and was nearly identical to the calculated density and the refractive index of the glasses derived from the sol-gel ranges from 1.545 to 1.645. The molar additive coefficient of $TiO_{2}$ measured in this ternary system is lower than the calculated value, while the value of $La_{2}O_{3}$ is higher.

Phase Relations and Microstructure of Comounds in the $Si_3N_4-Al_2O_3-SiO_2$ system at $1700^{\cire}C$ ($Si_3N_4-Al_2O_3-SiO_2$계의 1,$700^{\circ}C$에서 생성하는 화합물의 상관계 및 미구조)

  • Lee, Eey-Jong;Kim, Hwan
    • Journal of the Korean Ceramic Society
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    • v.16 no.4
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    • pp.206-212
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    • 1979
  • The phase relations and microstructure appeared at 1700℃ in a system of Si3N4-Al2O3-SiO2 were studied. The samples were pressurelessly sintered at 1700℃ for 1hr and reheated at 1600℃ for 1hr under nitrogen atmosphere. The compounds formed were identified by X-ray diffraction method and the microstrues were observed by SEM. The stable phases appeared in this system were X-phase, Si2ON2, β'-Si3N4 and Mullite. From the results of those experiments, it was concluded that the X-phase has very close composition to that proposed by G, K. Layden, Si3Al6O12N2. SEM photographs showed that Si2ON2 was a plate phase and X-phase was a rectagular plate phase.

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Temperature reliability analysis according to the gate dielectric material of 4H-SiC UMOSFET (4H-SiC UMOSFET의 gate dielectric 물질에 따른 온도 신뢰성 분석)

  • Jung, Hang-San;Heo, Dong-Beom;Kim, Kwang-Su
    • Journal of IKEEE
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    • v.25 no.1
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    • pp.1-9
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    • 2021
  • In this paper, a 4H-SiC UMOSFET was studied which is suitable for high voltage and high current applications. In general, SiO2 is a material most commonly used as a gate dielectric material in SiC MOSFETs. However, since the dielectric constant value is 2.5 times lower than 4H-SiC, it suffers a high electric field and has poor characteristics in the SiO2/SiC junction. Therefore, the static characteristics of a device with high-k material as a gate dielectric and a device with SiO2 were compared using TCAD simulation. The results show BV decreased, VTH decreased, gm increased, and Ron decreased. Especially when the temperature is 300K, the Ron of Al2O3 and HfO2 decreases by 66.29% and 69.49%. and at 600K, Ron decreases by 39.71% and 49.88%, respectively. Thus, Al2O3 and HfO2 are suitable as gate dielectric materials for high voltage SiC MOSFET.

The effect of the addition of TiO2 in the preparation of (Al2O3-SiC)- SiC composite powder by SHS Process (SHS법을 이용한 복합분말(Al2O3-SiC) 제조시 TiO2첨가의 영향)

  • Yun, Gi-Seok;Yang, Beom-Seok;Lee, Jong-Hyeon;Won, Chang-Hwan
    • Korean Journal of Materials Research
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    • v.12 no.1
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    • pp.48-53
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    • 2002
  • $Al_2O_3-SiC$ and $Al_2O_3-SiC$-TiC composite powders were prepared by SHS process using $SiO_2,\;TiO_2$, Al and C as raw materials. Aluminum powder was used as reducing agent of $SiO_2,\;TiO_2$ and activated charcoal was used as carbon source. In the preparations of $Al_2O_3-SiC$, the effect of the molar ratio in raw materials, compaction pressure, preheating temperature and atmosphere were investigated. The most important variable affecting the synthesis of $Al_2O_3-SiC$ was the molar ratio of carbon. Unreactants remained in the product among all conditions without compaction. The optimum condition in this reaction was $SiO_2$: Al: C=3: 5: 5.5, 80MPa compaction pressure under Preheating of $400^{\circ}C$ with Ar atmosphere. However there remains cabon in the optimum condition. The effect of $TiO_2$ as additive was investigated in the preparations of $Al_2O_3-SiC$. As a result of $TiO_2$ addition, $Al_2O_3-SiC$-TiC composite powder was prepared. The $Al_2O_3$ powder showed an angular type with 8 to $15{\mu}m$, and the particle size of SiC powder were 5~$10{\mu}m$ and TiC powder were 2 to $5{\mu}m$.

Effect of $SiO_2$ and $Al_2O_3$ on Characteristics of Yttria-Stabilized Zirconia Ceramics (아트리아 안정화 지르토니아 소결체의 특성에 $SiO_2$$Al_2O_3$ 가 미치는 영향)

  • 손정덕;최시영;조상희
    • Journal of the Korean Institute of Telematics and Electronics
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    • v.27 no.6
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    • pp.886-894
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    • 1990
  • Sinterbility, microstructure, mechenical and electrical properties of yttriastabilized zirkconiz (92 mole % ZrO2 + 8 mole % Y2O3) doped with 0.5 mole % SiO2 and 0-2.O mole% Al2O3 were studied as a functin of Al2O3 addition. Sintered density increased with increasing Al2O3 addition up to o.5 mole%but decreased up to 1.0mole% Al2O3. Vickers hardness is proportional to sintered density. The specimen added 0.5mole% Al2O3 and 0.5mole% SiO2 exhibited a maximum conductivity. And the specimen added 0.5 mole % Al2O3 and 0.5 mole% SiO2 was measured a maximum electromotive force for a characteristics of oxyzen partial pressure.

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Structure of SrO-B2O3-Al2O3 and SrO-B2O3-SiO2 glasses Using 11B Nuclear Magnetic Resonance (11B NMR 방법에 의한 SrO-B2O3-Al2O3와 SrO-B2O3-SiO2 유리들의 구조에 관한 연구)

  • Moon, Seong-Jun
    • Journal of Korean Ophthalmic Optics Society
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    • v.7 no.2
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    • pp.19-25
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    • 2002
  • Ternary $xSrO-yB_2O_3-0.1Al_2O_3$ and $xSrO-yB_2O_3-0.1SiO_2$ glasses were prepared as a function of R(${\equiv}x/y$). The fraction of four-coordinated brans ($N_4$), symmetric three-coordinated barons ($N_{3S}$), and asymmetric three-coordinated barons ($N_{3A}$) were determined quantitatively to study the structures of these glasses by $^{11}B$ NMR. The values of $Q_{cc}$ and ${\eta}$ for $BO_3$ unit in the glasses were 2.74MHz and 0.22, those for $BO_3{^-}$ unit were 2.54MHz and 0.55, and those for $BO_4$ unit 0.60~0.75MHz and 0.00, respectively. The structure of SrBAl glass at $R_{1st}$ consisted of tetraborate ($[B_8O_{13}]^{-2}$) units and 1st-modified diborate ($[B_2Al_2O_7]^{-2}$) units, and those for the glass at $R_{max}$consisted of diborate ($[B_4O_7]^{-2}$) units, metaborate ($[BO_2^{-1}]$), 1st-modified diborate units, and 2nd-modified diborate ($[B_2Al_2O_8]^{-4}$) units. Due to the oxygens introduced from the strontium oxide. $AlO_4$ units were preferably formed rather than $BO_4$ units. And, the structure of SrBSi glasses in the region $R{\leq}0.5$ could be viewed as binary $SrO-B_2O_3$ glasses structure diluted by silicate oxide: therefore, the Si atoms of the glasses did not contributed to the change the configuration around the boron atoms. The silicate oxide was formed the $SiO_4{^-}$ units rather than the $BO_3{^-}$ units by the oxygens introduced from the storntium oxide in the region of $R{\geq}R_{max}$, and structure of those glass at $R_{max}$ consisted of diborate units, metaborate units loose $BO_4([BO_2]^{-1})$, and $SiO_4{^-}([SiO_{2.5}]^{-1})$ units.

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Joining Behavior of YSZ Ceramics to Al2O3-ZrO2-SiO2-R2O and Al2O2-ZrO2-SiO2-La2O3-R2O Glass Systems (Al2O3-ZrO2-SiO2-R2O와 Al2O3-ZrO2-SiO2-La2O3-R2O계 유리와 부분안정화 지르코니아간의 접합거동)

  • Choi, Jinsam;Bae, Won Tae
    • Journal of the Korean Ceramic Society
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    • v.52 no.1
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    • pp.19-22
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    • 2015
  • The joining behavior of YSZ ceramics to the glasses used in the $9Al_2O_3-24ZrO_2-51SiO_2-16R_2O$ and $9Al_2O_3-24ZrO_2-51SiO_2-7La_2O_3-9R_2O$ (wt%) glass systems was investigated. The glass transition and softening temperatures were determined to be $430^{\circ}C$ and $760^{\circ}C$, respectively. The behavior of the contact angle was inversely proportional to an increase in the temperature. The Zr element in YSZ acted as a nucleation agent and contributed to the bonding behavior at the interface.

The Effect of SiO2 on the Microstructure and Electrical Properties of BaTiO3 PTC Thermistor (BaTiO3 PTC 써미스터의 미세구조 및 전기적 특성에 대한 SiO2 영향)

  • Chun, Myoung-Pyo
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.26 no.1
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    • pp.22-26
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    • 2013
  • PTCR ceramics of $(Ba_{0.998}Sm_{0.002})TiO_3+0.001MnCO_3+xSiO_2$ (x=1, 2, 3, 4, 5, 6 mol%) were fabricated by solid state method. Disk samples of diameter 5 mm and thickness about 1mm were sintered at $1,290^{\circ}C$ for 2 h in reduced atmosphere of $5%H_2-95%N_2$ followed by re-oxidation at $600^{\circ}C$ for 30 min. in $20%O_2-80%N_2$.and their microstructures and electrical properties were investigated with SEM and Multimeter. The color of sintered samples was strongly dependent on $SiO_2$ content showing that the color of samples with $SiO_2$ of 1~2 mol% was gray but that of samples with $SiO_2$ of 4~6 mol% was changed from gray to blue, which seems to be related with the reduction of samples due to the oxygen vacancies created during the sintering in reduced atmosphere. $SiO_2$ content had a great influence on the microstructure and the electrical properties. With increasing $SiO_2$ content, the grain size of samples increased and the resistivity as well as the resistivity jump ($R_{285}/R_{min}$) decreased, which is considered to be attributed to the resistivity change at grain interior and grain boundary due to the fast mass transfer through $SiO_2$ liquide phase during the sintering. Samples with 2 mol% $SiO_2$ has the resistivity of $202{\Omega}cm$ and the resistivity jump of 3.28. It is expected that $SiO_2$ doped $BaTiO_3$ based PTC ceramics can be used for multilayered PTC thermistor due to the resistance to the sintering in reduced atmosphere.

Effect of Silicon Source and Application Method on Growth of Kalanchoe 'Peperu' (규산염 종류와 적용방법이 칼랑코에 '페페루'의 생육에 미치는 영향)

  • Son, Moon-Sook;Oh, Hye-Jin;Song, Ju-Yeon;Lim, Mi-Young;Sivanesan, Iyyakkannu;Jeong, Byoung-Ryong
    • Horticultural Science & Technology
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    • v.30 no.3
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    • pp.250-255
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    • 2012
  • The effect of different source silicon ($CaSiO_3$, $K_2SiO_3$, and $NaSiO_3$) and their application methods (foliar application and subirrigation) on the growth of potted kalanchoe was investigated. Rooted terminal cuttings of Kalanchoe blossfeldiana 'Peperu' were transplanted into 10.5 cm plastic pots containing a commercial growing medium. Then, a nutrient solution, containing 0 or $50mg{\cdot}L^{-1}$ Si as $K_2SiO_3$, $Na_2SiO_3$, or $CaSiO_3$ and adjusted to EC 1.4-$1.6mS{\cdot}cm^{-1}$ and pH 6.0, was supplied through subirrigation along with the nutrient solution or by a foliar application. Plants were grown in a glasshouse under a mean temperature of $23^{\circ}C$ and RH of 70-80%. After 12 weeks of cultivation, plant growth characteristics and leaf tissue contents of P, K, Ca, Mg, Na, S, and Si were measured. Both subirrigational supply and foliar application of Si decreased the plant height and flower stem length. However, the plant condition in the foliar application resulted in disease-like soft rot on the leaf. Among three silicon sources tested, $CaSiO_3$ supplied through a subirrigation system increased shoot tissue contents of Si and chlorophyll as compared to the $Na_2SiO_3$ or $K_2SiO_3$ treatment. Shoot tissue contents of Ca, K, and Na increased when the plant was supplied with $CaSiO_3$, $K_2SiO_3$, and $Na_2SiO_3$, respectively. Subirrigational supply of $K_2SiO_3$ and $NaSiO_3$ decreased the shoot tissue contents of Ca and Mg, and K and Ca, respectively. Therefore, $CaSiO_3$ supplied through a subirrigation system could improve plant quality of kalanchoe 'Peperu' making compact potted plants.