• Bulletin of the Korean Chemical Society
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• v.29 no.4
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• pp.782-784
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• 2008

Ag/Ni bimetallic cluster loading on porous carbon fibers was accomplished in order to enhance the HCl removal efficiency of the carbons. The surface properties of the Ag/Ni/carbons were determined by XRD and SEM. N2/77 K adsorption isotherms were investigated using BET and Boers t-plot methods. The HCl removal efficiency was confirmed by a gas chromatography technique, and it was found that that efficiency was predominantly improved in the presence of Ag/Ni clusters compared with the efficiencies of the as-received and single-metal-plated carbons. This indicates that synergetic reactions exist between Ag/Ni and HCl gas, resulting in advanced HCl removal capacity of porous carbons.

• Korean Journal of Metals and Materials
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• v.47 no.8
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• pp.461-465
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• 2009

We study the diffusion of Ag based bimetallic nanoclusters supported on graphite. Using a molecular dynamics simulation, we reveal that the Ag clusters show rapid diffusion because of their hexagonal bottom layer. In order to decrease the rate of diffusion, we added Pt and Ni to distort the structure of the alloy cluster (i.e., the alloying method). We expected Pt to provide a stronger force on Ag atoms, and Ni to shorten the bond length and thereby change the structure of Ag cluster. However, the attempt was unsuccessful, because Pt and Ni atoms formed cores inside the Ag clusters. We therefore designed a collision system where large Ag clusters collide with small Pt or Ni clusters. Upon collision with Pt clusters, the diffusion showed little change, because Pt atoms are substituted at the Ag atomic site and form a perfectly ordered structure. The collision with Ni, however, deforms the bottom layer as well as the overall cluster structure and decreases diffusion. This outcome appoints toward the possibility of further application to the manufacture of durable nanocatalysts.

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.359-370
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• 2014

두 가지 서로 다른 원소를 포함한 나노 크기의 금속클러스터가 여러 화학반응의 효과적인 촉매로 각광받고 있다. 그래서 본 연구에서는 분자동역학을 이용하여 48개로 구성된 Au-Pd 나노 금속 클러스터의 다양한 구조와 상전이 현상을 살펴보고자 한다.