• Proceedings of the Korean Vacuum Society Conference
• /
• 2013.02a
• /
• pp.129-129
• /
• 2013

Nanometal alloy catalysts have been found to significantly increase catalytic efficiency, compared to the monometallic counterparts. This enhancement can be attributed to various alloying effects: i) the existence of uniquemixed-metal surface sites [the so called ensemble (geometric) effect]; ii) electronic state changes due to metal-metal interactions [the so called ligand (electronic) effect]; and iii) strain caused by lattice mismatch between the alloy components [the socalled strain effect]. In addition, the presence of low-coordination surface atoms and preferential exposure of specific facets [(111), (100), (110)] in association with the size and shape of nanoparticle catalysts [the so called shape-size-facet effect] can be another important factor for modifying the catalytic activity. However, mechanisms underlying the alloying effect still remain unclear owing to the difficulty of direct characterization. Computational approaches, particularly the prediction using first-principles density functional theory (DFT), can be a powerful and flexible alternative for unraveling the role of alloying effects in catalysis since those can give us quantitative insights into the catalytic systems. In this talk, I will present the underlying principles (such as atomic arrangement, facet, local strain, ligand interaction, and effective atomic coordination number at the surface) that govern catalytic reactions occurring on Pd-based alloys using the first-principles calculations. This work highlights the importance of knowing how to properly tailor the surface reactivity of alloy catalysts for achieving high catalytic performance.

• Bulletin of the Korean Chemical Society
• /
• v.33 no.12
• /
• pp.4069-4073
• /
• 2012

Metallacyclodimeric complexes of $[(Me_4en)Pd(L)]_2(ClO_4)_4$ ($Me_4en$ = N,N,N',N'-tetramethylethylenediamine; L = dimethylbis(4-pyridyl)silane (dmps), methylvinylbis(4-pyridyl)silane (mvps)) have been synthesized, and their structures have been characterized by X-ray single crystallography. The skeletal structures consist of one 20-membered metallamacrocycle, two 5-membered metallacycles, and four pyridyl groups. The local geometry around the palladium(II) ion approximates to a typical square planar arrangement with four nitrogen donors. Delicate difference in catalytic effects on hydrogenation was investigated based on the structure of catalyst and substrates.

• Journal of the Korean institute of surface engineering
• /
• v.23 no.3
• /
• pp.144-149
• /
• 1990

X-ray phtoelectron spectroscopy has been used to obtain information on the behavior of the Pb catalysis and Sn sensitizer on the bariumtitanate ceramic substrate. SnF2 sensitization and PbCl2 activation process are used are used to prepare nonconductive substrate for electroless plating. This method of surface preparation is compared to Pd-Sn mixed solu tions and Ag pretreatment process. In all the case, the bonding energy is about 487.5eV for Sn and 336.5~337.5eV for Pb.

• Applied Chemistry for Engineering
• /
• v.17 no.5
• /
• pp.532-538
• /
• 2006

The carbonization and activation conditions for the PAN-based ACF of various grade were investigated to obtain the optimun activation condition with high surface area. And the surface properties and the absorption performance of toxic gas for terror were examined toward the PAN-ACF with the highest surface area. In the test results the surface area increased with increase of the activation temperature, but decreased with increase of the carbonization temperature. After carbonization condition ($900^{\circ}C$-15min) and activation condition ($900^{\circ}C$-30 min), we got the ACF with the highest surface area of $1204m^2/g$. In the absorption test of iodine and toxic gas for terror, this ACF showed more excellent absorption performance than the existing carbon-based adsorbent. Also, in order to give the function characteristic for a selective absorption, the stable nanoparticles of the Ag, Pt, Cu, Pd were prepared and impregnated on the PAN-based ACF in replacement of the existing method supporting metal catalysis. And were analyzed the surface characteristics and the $SO_{2}$ adsorption characteristics. In the $SO_{2}$ absorption performance test of the PAN-ACF with the impregnated nanoparticles, it wasn't change breakthrough time of Ag, Pt, Cu nanoparticle supported the PAN-ACF comparing with breakthrough time (326 sec) of the non supported PAN-ACF but Pd nanoparticle supported the PAN-ACF achieved excellent $SO_{2}$ absorption performance which has break-through time 925 sec.

• Advances in materials Research
• /
• v.3 no.4
• /
• pp.199-216
• /
• 2014

Noble metal nanoparticles (mainly Au, Ag, Pt and Pd) have received enormous attention owing to their unique and fascinating properties. In the past decades, many researchers have reported methods to control the shape and the size of these noble metal nanoparticles. They have consequently demonstrated outstanding and tunable properties and thus enabled a variety of applications such as surface plasmonics, photonics, diagnostics, sensing, energy storage and catalysis. This paper focuses on the recent advances in the solution-phase synthesis of shape- and size-controlled noble metal nanoparticles. The strategies and protocols for the synthesis of the noble metal nanoparticles are introduced with discussion of growth mechanisms and important parameters, to present the general criteria needed for producing desirable shapes and sizes. This paper reviews their remarkable properties as well as their shape- and size- dependence providing insights on the manipulation of shape and size of metal nanoparticles, necessary for appropriate applications. Finally, several applications using the shape- and size-controlled noble metal nanoparticles are highlighted.

• Journal of Environmental Science International
• /
• v.25 no.4
• /
• pp.517-524
• /
• 2016

In order to treat groundwater containing high levels of nitrate, nitrate reduction by nano sized zero-valent iron (nZVI) was studied using batch experiments. Compared to nitrate removal efficiencies at different mass ratios of $nitrate/Fe^0$, the removal efficiency at the mass ratio of 0.02% was the highest(54.59%). To enhance nitrate removal efficiency, surface modification of nZVI was performed using metallic catalysis such as Pd, Ni and Cu. Nitrate removal efficiency by Cu-nZVI (at $catalyst/Fe^0$ mass ratio of 0.1%) was 66.34%. It showed that the removal efficiency of Cu-nZVI was greater than that of the other catalysts. The observed rate constant ($k_{obs}$) of nitrate reduction by Cu-nZVI was estimated to $0.7501min^{-1}$ at the Cu/Fe mass ratio of 0.1%. On the other hand, TEM images showed that the average particle sizes of synthetic nZVI and Cu-nZVI were 40~60 and 80~100 nm, respectively. The results imply that catalyst effects may be more important than particle size effects in the enhancement of nitrate reduction by nZVI.