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dc.contributor.authorHuang, Rao
dc.contributor.authorWen, Yu-Hua
dc.contributor.authorZhu, Zi-Zhong
dc.contributor.author朱梓忠
dc.contributor.authorSun, Shi-Gang
dc.contributor.author孙世刚
dc.date.accessioned2013-04-02T01:12:44Z
dc.date.available2013-04-02T01:12:44Z
dc.date.issued2012-05-31
dc.identifier.citationJOURNAL OF PHYSICAL CHEMISTRY C,2012,116(21):11837-11841zh_CN
dc.identifier.issn1932-7447
dc.identifier.urihttp://dx.doi.org/10.1021/jp303877u
dc.identifier.uriWOS:000304574500050
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/15439
dc.description.abstractMicroscopic understanding of thermodynamic behaviors of metallic nanoparticles is of significance for their applications in nanoscale catalysis and thermal energy storage. In this article, molecular dynamics simulations are used to investigate the thermal stabilities of Pt-Pd core-shell nanoparticles with different core sizes and shell thicknesses. Our study shows that a distinct two-stage melting occurs during the continuous heating of bimetallic nanoparticles. It has experienced a much broader temperature range compared with the melting of monometallic nanoparticles, although they have both developed from surface into interior. The temperature width for the two-stage melting is dependent not only on the bulk melting points of two component metals but also on the ratio of the shell thickness and core size. Furthermore, due to the melting of the Pd shell beforehand, the melting point of the Pt core is lower than that of the same size Pt nanoparticle not encapsulated by the Pd shell. This study provides a fundamental perspective on the melting behavior of bimetallic (even multimetallic) nanoparticles at the atomic level.zh_CN
dc.description.sponsorshipNational Natural Science Foundation of China [21021002]; Fundamental Research Funds for the Central Universities [2012121010]; Natural Science Foundation of Fujian Province of China [2011J05011]zh_CN
dc.language.isoenzh_CN
dc.publisherAMER CHEMICAL SOCzh_CN
dc.subjectAT-PT NANOPARTICLESzh_CN
dc.subjectHIGH-INDEX FACETSzh_CN
dc.subjectMOLECULAR-DYNAMICSzh_CN
dc.subjectCLUSTERSzh_CN
dc.subjectNANOCLUSTERSzh_CN
dc.subjectNANOCRYSTALSzh_CN
dc.subjectSTABILITYzh_CN
dc.subjectBULKzh_CN
dc.titleTwo-Stage Melting in Core-Shell Nanoparticles: An Atomic-Scale Perspectivezh_CN
dc.typeArticlezh_CN


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