Morphology and structural stability of Pt-Pd bimetallic nanoparticles

doi:10.1088/1674-1056/24/3/033601

Abstract

The morphologies and structures of Pt-Pd bimetallic nanoparticles determine their chemical and physical properties. Therefore, a fundamental understanding of their morphologies and structural stabilities is of crucial importance to their applications. In this article, we have performed Monte Carlo simulations to systematically explore the structural stability and structural features of Pt-Pd alloy nanoparticles. Different Pt/Pd ratios, and particle sizes and shapes were considered. The simulated results reveal that the truncated octahedron, which has the remarkably lowest energy among all the considered shapes, exhibits the best structural stability while the tetrahedron has the worst invariably. Furthermore, all the structures of Pt-Pd alloy nanoparticles present Pd-rich in the outmost layer but Pt-rich in the sub-outmost layer. Especially, atomic distribution and chemical short-range order parameter were applied to further characterize the structural features of Pt-Pd alloy nanoparticles. This study provides a significant insight not only into the structural stability of Pt-Pd alloy nanoparticles with different compositions, and particle sizes and shapes but also to the design of bimetallic nanoparticles.

Keywords: nanoparticles structural stability Monte Carlo simulation

Received: 16 July 2014
Revised: 29 October 2014
Accepted manuscript online:

PACS:	36.40.-c	(Atomic and molecular clusters)
	61.46.Df	(Structure of nanocrystals and nanoparticles ("colloidal" quantum dots but not gate-isolated embedded quantum dots))
	52.65.Pp	(Monte Carlo methods)

Fund:

Project supported by the National Natural Science Foundation of China (Grant No. 51271156) and the Natural Science Foundation of Fujian Province, China (Grant Nos. 2013J01255 and 2013J06002).

Corresponding Authors: Shao Gui-Fang
E-mail: gfshao@xmu.edu.cn

Cite this article:

Liu Tun-Dong (刘暾东), Zheng Ji-Wen (郑骥文), Shao Gui-Fang (邵桂芳), Fan Tian-E (范天娥), Wen Yu-Hua (文玉华) Morphology and structural stability of Pt-Pd bimetallic nanoparticles 2015 Chin. Phys. B 24 033601

[1]	Broyer M, Cottancin E, Lerme J, Pellarin M, Fatti N D, Vallee F, Burgin J, Guillon C and Langot P 2008 Faraday Discuss. 138 137
[2]	Link S, Burda C, Wang Z L and El-Sayed M A 1999 J. Chem. Phys. 111 1255
[3]	Yen C W, Lin M L, Wang A Q, Chen S A, Chen J M and Mou C Y 2009 J. Phys. Chem. C 113 17831
[4]	Wang D S and Li Y D 2011 Adv. Mater. 23 1044
[5]	Yang X Q, Hu Y, Zhang J L, Wang Y Q, Pei C M and Liu F 2014 Acta Phys. Sin. 63 048102 (in Chinese)
[6]	Baletto F and Ferrando R 2005 Rev. Mod. Phys. 77 371
[7]	Xie Z, Ma Q M, Liu Y and Li Y C 2008 Chin. Phys. Lett. 25 1270
[8]	Li Y, Qi W H, Huang B Y, Ji W H and Wang M P 2013 J. Phys. Chem. C 117 15394
[9]	Wilson N T, Bailey M S and Johnston R L 2006 Inorg. Chim. Acta 359 3649
[10]	Oh J S, Nam H S, Choi J H and Lee S C 2013 J. Phys.: Conf. Ser. 410 012084
[11]	He C, Desai S, Brown G and Bollepalli S 2005 Electrochem. Soc. Interface 14 41
[12]	Deng L, Hu W Y, Deng H Q, Xiao S F and Tang J F 2011 J. Phys. Chem. C 115 11355
[13]	Jeong G H, Kim M, Lee Y W, Choi W, Oh W C, Park Q H and Han S W 2009 J. Am. Chem. Soc. 131 1672
[14]	Ojea-Jimenez I, Romero F M, Bastus F M and Puntes V 2010 J. Phys. Chem. C 114 1800
[15]	Wu J B, Zhou M J, Wang X M, Wang Y Y, Xiong Z W, Cheng X L, Casanove M J, Gatel C and Wu W D 2014 Acta Phys. Sin. 63 166801 (in Chinese)
[16]	Ding Y, Fan F, Tian Z and Wang Z L 2010 J. Am. Chem. Soc. 132 12480
[17]	Esparza R, García-Ruiz A F, Salazar J J V, Perez R and Jose-Yacaman M 2013 J. Nanopart. Res. 15 1342
[18]	Huang R, Wen Y H, Zhu Z Z and Sun S G 2012 J. Phys. Chem. C 116 8664
[19]	Yuan Q, Zhou Z Y, Zhuang J and Wang X 2010 Chem. Commun. 46 1491
[20]	Yin A X, Min X Q, Zhang Y W and Yan C H 2011 J. Am. Chem. Soc. 133 3816
[21]	Lee Y W, Ko A R, Han S B, Kim H S and Park K W 2011 Phys. Chem. Chem. Phys. 13 5569
[22]	Cagin T, Kimura Y and Qi Y 1999 Mater. Res. Soc. Symp. Proc. 554 43
[23]	Yun K, Cho Y H, Cha P R, Lee J, Nam H S, Oh J S, Choi J H and Lee S C 2012 Acta Mater. 60 4908
[24]	Wei L Y, Qi W H, Huang B Y and Wang M P 2013 Comp. Mater. Sci. 69 374
[25]	Ferrando R, Jellinek J and Johnston R L 2008 Chem. Rev. 108 845
[26]	Wang L L and Johnson D D 2009 J. Am. Chem. Soc. 131 14023
[27]	Sun Y, Wiley B, Li Z Y and Xia Y 2004 J. Am. Chem. Soc. 126 9399
[28]	Wang Z G, Huang R and Wen Y H 2013 Acta Phys. Sin. 62 126101 (in Chinese)
[29]	Baletto F, Mottet C and Ferrando R 2003 Phys. Rev. Lett. 90 135504
[30]	Cheng D J, Wang W C, Huang S P and Cao D P 2008 J. Phys. Chem. C 112 4855
[31]	Huang R, Wen Y H, Zhu Z Z and Sun S G 2011 J. Mater. Chem. 21 11578
[32]	Wen Y H, Huang R, Li C, Zhu Z Z and Sun S G 2012 J. Mater. Chem. 22 7380
[33]	Huang R, Wen Y H, Shao G F and Sun S G 2013 J. Phys. Chem. C 117 4278
[34]	Qin L J, Zhang Y H, Huang S P, Tian H P and Wang P 2010 Phys. Rev. B 82 075413
[35]	Frenkel D and Smit B 1997 Phys. Today 50 66
[36]	Zhong K H, Huang Z G, Feng Q Jiang L Q, Yang Y M and Chen Z G 2006 Chin. Phys. Lett. 23 200
[37]	Lu Z W, Wei S H and Zunger A 1991 Phys. Rev. Lett. 66 1753
[38]	Jiang L, Tang Y X, Liow C H, Wu J S, Sun Y H, Jiang Y Y, Dong Z L, Li S Z, Dravid V P and Chen X D 2013 Small 9 705
[39]	Barnard A S 2012 Acc. Chem. Res. 45 1688
[40]	Deng L, Deng H Q, Xiao S F, Tang J F and Hu W Y 2013 Faraday Discuss. 162 293
[41]	Montejano-Carrixales J M, Aguilera-Granja F and Moran-Lopez J L 1997 Nanostruct. Mater. 8 269
[42]	Cowley J M 1950 Phys. Rev. 77 669

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