publication . Preprint . 2015

Atomistic simulations of the structures of Pd-Pt bimetallic nanoparticles and nanowires

Yun, Kayoung; Cha, Pil-Ryung; Lee, Jaegab; Kim, Jiyoung; Nam, Ho-Seok;
Open Access English
  • Published: 25 Feb 2015
Abstract
Bimetallic nanoalloys such as nanoparticles and nanowires are attracting significant attention due to their vast potential applications such as in catalysis and nanoelectronics. Notably, Pd-Pt nanoparticles/nanowires are being widely recognized as catalysts and hydrogen sensors. Compared to unary systems, alloys present more structural complexity with various compositional configurations. Therefore, it is important to understand energetically preferred atomic structures of bimetallic nanoalloys. In this study, we performed a series of simulated annealing Monte Carlo simulations to predict the energetically stable atomic arrangement of Pd-Pt nanoparticles and nan...
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free text keywords: Condensed Matter - Materials Science
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