Pt-Au核-壳结构纳米粒子热稳定性的分子动力学研究

汪志刚; 黄娆; 文玉华

doi:10.7498/aps.62.126101

摘要

采用分子动力学方法结合嵌入原子势, 对Pt-Au核-壳纳米粒子的热稳定性进行了研究. 计算结果表明: Pt-Au纳米粒子的熔点明显高于Au纳米粒子而低于Pt纳米粒子. 通过计算Lindemann指数发现: 壳层中的Au首先熔化, 然后逐渐向内部扩展, 最终导致核中的Pt完全熔化; 熔化所经历的温度区间明显宽于单质纳米粒子, 而且该熔化过程呈现典型的两阶段熔化特征; 在两次熔化之间, 存在着固(核)液(壳)共存的结构.

关键词:

纳米粒子 /
熔化 /
分子动力学

Abstract

In this paper, we have examined the thermal stability of Pt-Au core-shell nanoparticle by using molecular dynamics simulations with embedded-atom potential. The results show that the melting point of Pt-Au core-shell nanoparticle is significantly higher than that of pure Au one but lower than that of Pt one. By the analyses of Lindemann index, it is discovered that the melting first occurs in Au shell, then spreads into interior, finally the overall melting of Pt core appears. The temperature range of melting is much broader for Pt-Au core-shell nanoparticle than for Au and Pt nanoparticles. Moreover, Pt-Au core-shell nanoparticle exhibits a distinct two-stage melting during continuous heating, and the structure of solid (core)-liquid (shell) coexistence has been observed between two meltings.

Keywords:

作者及机构信息

1.
乐山师范学院物理与电子工程学院, 乐山 614004;

2.
厦门大学物理与机电工程学院, 厦门 361005

基金项目: 国家自然科学基金(批准号: 51271156, 11204252)和四川省教育厅(批准号: 12ZA072)资助的课题.

Authors and contacts

1.
College of Physics and Electronic Engineering, Leshan Teachers’ College, Leshan 614004, China;

2.
School of Physics and Mechanical and Electrical Engineering, Xiamen University, Xiamen 361005, China

Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 51271156, 11204252) and the Scientific Research Fund of Sichuan Provincial Education Department, China (Grant No. 12ZA072).

参考文献

[1]	Baletto F, Ferrando R 2005 Rev. Mod. Phys. 77 371
[2]	Zhou Z Y, Tian N, Li J T, Broadwell I, Sun S G 2011 Chem. Soc. Rev. 40 4167
[3]	Serpell C J, Cookson J, Ozkaya D, Beer P D 2011 Nat. Chem. 3 478
[4]	Wang L, Yamauchi Y 2011 Chem. Mater. 23 2457
[5]	Deng Y J, Tian N, Zhou Z Y, Huang R, Liu Z L, Xiao J, Sun S G 2012 Chem. Sci. 3 1157
[6]	Ding Y, Fan F R, Tian Z Q, Wang Z L 2010 J. Am. Chem. Soc. 132 12480
[7]	Mei Q S, Lu K 2007 Prog. Mater. Sci. 52 1175
[8]	Liu H B, Pal U, Ascencio J A 2008 J. Phys. Chem. C 112 19173
[9]	Yang Z, Yang X N, Xu Z J 2008 J. Phys. Chem. C 112 4937
[10]	Deng L, Hu W Y, Deng H Q, Xiao S F 2010 J. Phys. Chem. C 114 11026
[11]	Perrault S D, Chan W C W 2009 J. Am. Chem. Soc. 131 17042
[12]	Cagin T, Kimura Y, Qi Y, Li H, Ikeda H, Johnson W L, Goddard W A 1999 Mater. Res. Soc. Symp. Proc. 554 43
[13]	Wen Y H, Zhang Y, Zheng J C, Zhu Z Z, Sun S G 2009 J. Phys. Chem. C 113 20611
[14]	Subbaraman R, Sankaranarayanan S K R S 2011 Phys. Rev. B 84 075434
[15]	Huang R, Wen Y H, Zhu Z Z, Sun S G 2012 J. Phys. Chem. C 116 11837
[16]	Zhou Y Q, Karplus M, Ball K D, Berry R S 2002 J. Chem. Phys. 116 2323
[17]	Jin Z H, Gumbsch P, Lu K, Ma E 2001 Phys. Rev. Lett. 87 055703
[18]	Tian H C, Liu L, Wen Y H 2009 Acta Phys. Sin. 58 4080 (in Chinese) [田惠忱, 刘丽, 文玉华 2009 物理学报 58 4080]
[19]	Li G J, Wang Q, Li D G, He J C 2009 Mater. Chem. Phys. 114 746

施引文献

[1]	Baletto F, Ferrando R 2005 Rev. Mod. Phys. 77 371
[2]	Zhou Z Y, Tian N, Li J T, Broadwell I, Sun S G 2011 Chem. Soc. Rev. 40 4167
[3]	Serpell C J, Cookson J, Ozkaya D, Beer P D 2011 Nat. Chem. 3 478
[4]	Wang L, Yamauchi Y 2011 Chem. Mater. 23 2457
[5]	Deng Y J, Tian N, Zhou Z Y, Huang R, Liu Z L, Xiao J, Sun S G 2012 Chem. Sci. 3 1157
[6]	Ding Y, Fan F R, Tian Z Q, Wang Z L 2010 J. Am. Chem. Soc. 132 12480
[7]	Mei Q S, Lu K 2007 Prog. Mater. Sci. 52 1175
[8]	Liu H B, Pal U, Ascencio J A 2008 J. Phys. Chem. C 112 19173
[9]	Yang Z, Yang X N, Xu Z J 2008 J. Phys. Chem. C 112 4937
[10]	Deng L, Hu W Y, Deng H Q, Xiao S F 2010 J. Phys. Chem. C 114 11026
[11]	Perrault S D, Chan W C W 2009 J. Am. Chem. Soc. 131 17042
[12]	Cagin T, Kimura Y, Qi Y, Li H, Ikeda H, Johnson W L, Goddard W A 1999 Mater. Res. Soc. Symp. Proc. 554 43
[13]	Wen Y H, Zhang Y, Zheng J C, Zhu Z Z, Sun S G 2009 J. Phys. Chem. C 113 20611
[14]	Subbaraman R, Sankaranarayanan S K R S 2011 Phys. Rev. B 84 075434
[15]	Huang R, Wen Y H, Zhu Z Z, Sun S G 2012 J. Phys. Chem. C 116 11837
[16]	Zhou Y Q, Karplus M, Ball K D, Berry R S 2002 J. Chem. Phys. 116 2323
[17]	Jin Z H, Gumbsch P, Lu K, Ma E 2001 Phys. Rev. Lett. 87 055703
[18]	Tian H C, Liu L, Wen Y H 2009 Acta Phys. Sin. 58 4080 (in Chinese) [田惠忱, 刘丽, 文玉华 2009 物理学报 58 4080]
[19]	Li G J, Wang Q, Li D G, He J C 2009 Mater. Chem. Phys. 114 746

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