• 제목/요약/키워드: supported metal

검색결과 356건 처리시간 0.029초

작용기를 치환한 Metal-Organic Frameworks 에 대한 DFT 연구 (A Density Functional Theory Study on a Series of Functionalized Metal-Organic Frameworks)

  • 김대진;이태범;최승훈;이은성;오유진;윤지혜;김자헌
    • 한국전기화학회:학술대회논문집
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    • 한국전기화학회 2005년도 수소연료전지공동심포지움 2005논문집
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    • pp.329-334
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    • 2005
  • In order to find out rational design and synthetic strategies toward efficient hydrogen storage materials, we performed quantum mechanical calculations on a series of the Metal-Organic Frameworks (MOFs) containing functionalized organic linkers. Based on the shape of frontier orbitals and the electrostatic potential map of various MOFs from density functional theory calculations, it was found that the delocalization of electron and asymmetric polarization of the organic linker play an important role in the hydrogen storage capacity of Metal-Organic Frameworks. The prediction of the modeling study could be supported by the hydrogen adsorption experiments using MOF-5 and amine substituted MOF-5, which showed more enhanced hydrogen storage capacity of amine substituted MOF-5 compared with that of MOF-5.

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Facile Synthesis, Characterization and Photocatalytic Activity of MWCNT-Supported Metal Sulfide Composites under Visible Light Irradiation

  • Zhu, Lei;Meng, Ze-Da;Oh, Won-Chun
    • 한국세라믹학회지
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    • 제49권2호
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    • pp.155-160
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    • 2012
  • This paper reported a simple deposition-precipitation method, introducing the metal (Ni, Ag and Sn) and $Na_2S{\cdot}5H_2O$ to preparedispersion metal sulfide nanoparticles on the surface of the Multi-walled carbon nanotube for synthesis of CNT-$M_xS_y$ ($NiS_2$, $Ag_2S$, SnS) composite photocatalysts. The characterization of the prepared CNT-$M_xS_y$ ($NiS_2$, $Ag_2S$, SnS) composites was performed by X-ray diffraction, scanning electron microscopy with energy dispersive X-ray analysis and BET analysis. Furthermore, the MB degradation rate constant for CNT-SnS composite was $5.68{\times}10^{-3}$ under visible light irradiation, which was much higher than the corresponding values for other samples. The detailed formation and photocatalytic mechanism are also provided here.

Molecular interactions between pre-formed metal nanoparticles and graphene families

  • Low, Serena;Shon, Young-Seok
    • Advances in nano research
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    • 제6권4호
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    • pp.357-375
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    • 2018
  • Two dimensional (2D) atomic layered nanomaterials exhibit some of the most striking phenomena in modern materials research and hold promise for a wide range of applications including energy and biomedical technologies. Graphene has received much attention for having extremely high surface area to mass ratio and excellent electric conductivity. Graphene has also been shown to maximize the activity of surface-assembled metal nanoparticle catalysts due to its unique characteristics of enhancing mass transport of reactants to catalysts. This paper specifically investigates the strategy of pre-formed nanoparticle self-assembly used for the formation of various metal nanoparticles supported on graphene families such as graphene, graphene oxide, and reduced graphene oxide and aims at understanding the interactions between ligand-capped metal nanoparticles and 2D nanomaterials. By varying the functional groups on the ligands between alkyl, aromatic, amine, and alcohol groups, different interactions such as van der Waals, ${\pi}-{\pi}$ stacking, dipole-dipole, and hydrogen bonding are formed as the 2D hybrids produced.

Diaza-18-crown-6 Ethers Containing Partially-fluorinated Benzyl Sidearms: Effects of Covalently Bonded Fluorine on the Alkali Metal Complexation

  • Chi, Ki-Whan;Shim, Kwang-Taeg;Huh, Hwang;Lee, Uk;Park, Young-Ja
    • Bulletin of the Korean Chemical Society
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    • 제26권3호
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    • pp.393-398
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    • 2005
  • The stability constants for the diaza-18-crown-6 ethers 2-6 and alkali metal cations ($Na^+,\;K^+,\;Rb^+\;and\;Cs^+$) were determined using potentiometry in 95% methanol. For each metal ion the stability constants of the partiallyfluorinated ligands 3-6 were larger than that of the non-fluorinated ligand 2, which might reflect an interaction between fluorine atoms and alkali metal cations. The stability constant of the ligand 4 was larger than that of the ligand 5 for each metal cation tested. This finding was also supported by the results of cation-induced chemical shifts in $^1H-,\;^{19}F$-NMR and extraction experiment. The potentiometry and NMR results as well as the X-ray crystal structures revealed that the position and number of fluorine atoms in the benzyl side arms was crucial for the enhanced interaction between a ligand and an alkali metal.

구치부(臼齒部) 도재전장주조관(陶在前裝鑄造冠) 변연형태(邊緣形態)에 따른 응력분석(應力分析) (Stress Analysis of Posterior Porcelain-Fused-to-Metal Crown by Marginal Configurations)

  • 김광석;송광엽;박찬운
    • 대한치과보철학회지
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    • 제25권1호
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    • pp.161-179
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    • 1987
  • To study the mechanical behaviors of the margins of porcelain-fused-to-metal crown on the posterior teeth, 5 types of margins on the lower first molar were chosen, and then the finite element models were constructed. 50kg forces were applied to the porcelain on the axial wall supported by the metal vertically. The displacements and stresses of the porcelain-fused-to-metal crown were analyzed to investigate the influence of the type of margins. The results were as follows; 1. High tensile stresses were exhibited on the porcelain of the portion of the coronal line angle insufficient metallic support. 2. In case metal coping had a good supporting form to vertical force, uniform compressive stresses were exhibited on their supporting form. 3. Tensile stresses in the inframetallic margin on the series of the shoulder with a bevel margins were decreased in the bevel portion. 4. Principal stresses on the metal of the chamfer marginal portion were decreased comparing with the series of the shoulder margins. 5. The noticeable compressive stress gradients were exhibited between axial cement layer and metal on the series of the shoulder margins. 6. The principal stresses on the marginal cement layer were higher than that of the occlusal surface and axial wall.

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임플랜트지지 overdenture용 clip의 유지력 변화에 관한 연구 (A STUDY ON THE CHANGES IN RETENTION OF CLIPS USED TO RETAIN IMPLANT-SUPPORTED OVERDENTURE)

  • 여동헌;임주환;조인호
    • 대한치과보철학회지
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    • 제36권4호
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    • pp.566-580
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    • 1998
  • Implant-supported overdenture is known as a useful appliance, instead of using the conventional complete denture, for better retention and stability. In this study 4 types of materials such as, gold bar/plastic clip(group AuP), gold bar/metal clip(group AuM), palladium bar/plastic clip(group PdP), and palladium bar/metal clip (group PdM) were used to evaluate the retention forces according the type of clips and alloys used for bar fabrication, in the Hader bar system. Repeated insertions and removals of overdenture were conducted in each group. and the retention forces were measured and compared the data of each group according to the number of insertion and removal. The obtained results were as follows, 1. In the comparison of retention forces according to type of bar-clip, retention was increased in the order of group AuM, PdM, PdP AuP. and the retention force of group AuM was significantly increased compared with those of others (p<0.05). 2. In the comparison of retention forces according to the number of insertion, only group PdP showed significant decrease in retention(p<0.05). 3. In the comparison of retention forces according to the type of bar and clip. there was no significant difference in the type of bar, but the retention of plastic clip was significantly higher than that of metal clip when Au bar was used(p<0.05). 4. In the observation of the bar surface, group AuM using Au bar and metal clip showed the most scratches among bar groups.

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Base Metal 가격상승과 중국의 경제성장 (Base Metal's Price Hike and Chinese Economic Growth)

  • 이현복
    • 자원환경지질
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    • 제43권5호
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    • pp.523-528
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    • 2010
  • 미국발 금융위기 여파로 세계경제가 침체되변서 LME의 base metal 가격이 2008년 4/4, 분기 급락하였으나, 2009년 1-7월 거시경제 회복신호와 함께 base metal 가격이 다시 상승세를 보였다. Base meta1 상승 배경에는 미국 기업들의 개선된 실적 발표로 산업생산 및 제조업지수가 개선된 것 미달러화 약세로 인한 원자재 가격 상승, 그리고 무엇보다도 세계 금융 위기 속에도 경제성장을 위한 중국의 원자재 수요 증가가 주요 원인으로 꼽힌다. 이에 본 논문에서는 base metal 가격상승에 주요 base metal소비국의 수요가 영향을 주었는지를 중국 및 주요국 경제성장률을 가지고 회귀분석 하였다. 분석결과 중국의 경제 성장만이 LME시장의 base metal 가격상승에 영향을 주는 것으로 나타났다. 하지만 이런 결과에도 불구하고, 그동안 중국 상품의 주요 소비시장이었던 미국, 유럽 동 선진국들 경제의 본격적인 회복 없이 중국경제만으로 base metal 가격 상승랠리가 지속될지 여부를 보고자 한다.