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Thermal stability of platinum nanowires: a comparison study between single-crystalline and twinned structures

机译:铂纳米线的热稳定性:单晶和孪晶结构的比较研究

摘要

Platinum is the most active and one of most commonly used catalytic metals. In this article, atomistic simulations have been employed to systematically investigate the thermal stability of platinum nanowires with single-crystalline and fivefold twinned structures. It has been revealed that the single-crystalline nanowires possess better structural stabilities than the twinned ones. Furthermore, when subjected to continuous heating, the twinned nanowires exhibit an inhomogeneous melting, essentially different from what happens in the single-crystalline ones, and hence the lower melting point. By analyses of the microstructural evolution and dynamics behavior during the heating process, the structural transition of the nanowire is discussed and the inhomogeneity in the twinned nanowire is identified to originate from the dislocation-induced destruction of twin boundaries.
机译:铂是最活跃的催化剂,也是最常用的催化金属之一。在本文中,原子模拟已用于系统地研究具有单晶和五重孪晶结构的铂纳米线的热稳定性。已经发现,单晶纳米线比双晶纳米线具有更好的结构稳定性。此外,当受到连续加热时,孪生纳米线表现出不均匀的熔化,与单晶纳米线的熔化本质上不同,因此熔点更低。通过分析加热过程中的微观结构演变和动力学行为,讨论了纳米线的结构转变,并确定了孪晶纳米线中的不均匀性是由于位错引起的孪晶边界的破坏。

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