Size, shape and temperature dependent surface energy of binary alloy nanoparticles

被引:30
作者
Jabbareh, Mohammad Amin [1 ]
机构
[1] Hakim Sabzevari Univ, Fac Engn, Dept Mat Engn, POB 9617976487, Sabzevar, Iran
关键词
Surface energy; Alloy nanoparticle; Size effect; Shape effect; PHASE-DIAGRAM; STABILITY; TENSION; MODEL;
D O I
10.1016/j.apsusc.2017.07.242
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Surface energy has an important role in determining the properties of nanoparticles. Even though, extensive research has been done on the surface energy of pure nanoparticles, the surface energy of alloy nanoparticles has not been considered enough. In this work, based on the liquid drop model for surface energy of pure nanoparticles and Butler's equation, a model for size dependent surface energy of alloy nanoparticles has been developed. In addition to size and concentration, the model can describe the effects of shape and temperature on surface energy of alloy nanoparticles. Cu - Ag and Cu - Au systems have been studied as two examples and the results have been compared with other theoretical models and available simulated data. Reasonable agreements between the results were observed. The results show that the decreasing particle size decreases surface energy of alloy nanoparticles but decreasing temperature and shape factor increases the value of surface energy. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码:1094 / 1099
页数:6
相关论文
共 36 条
[1]   Grand canonical molecular dynamics simulations of Cu-Au nanoalloys in thermal equilibrium using reactive ANN potentials [J].
Artrith, Nongnuch ;
Kolpak, Alexie M. .
COMPUTATIONAL MATERIALS SCIENCE, 2015, 110 :20-28
[2]   A model for the phase stability of arbitrary nanoparticles as a function of size and shape [J].
Barnard, AS ;
Zapol, P .
JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (09) :4276-4283
[4]   Thermodynamic modeling of the Cu-Ag-Au system using the cluster/site approximation [J].
Cao, W. ;
Chang, Y. A. ;
Zhu, J. ;
Chen, S. ;
Oates, W. A. .
INTERMETALLICS, 2007, 15 (11) :1438-1446
[5]   On the role of surface energy and surface stress in phase-transforming nanoparticles [J].
Fischer, F. D. ;
Waitz, T. ;
Vollath, D. ;
Simha, N. K. .
PROGRESS IN MATERIALS SCIENCE, 2008, 53 (03) :481-527
[6]   Temperature dependence of the surface free energy and surface stress: An atomistic calculation for Cu(110) [J].
Frolov, T. ;
Mishin, Y. .
PHYSICAL REVIEW B, 2009, 79 (04)
[7]   Reassessment of the Ag-Cu phase diagram for nanosystems including particle size and shape effect [J].
Garzel, Grzegorz ;
Janczak-Rusch, Jolanta ;
Zabdyr, Leszek .
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2012, 36 :52-56
[8]   Gold Copper Nano-Alloy, "Tumbaga", in the Era of Nano: Phase Diagram and Segregation [J].
Guisbiers, Gregory ;
Meija-Rosales, Sergio ;
Khanal, Subarna ;
Ruiz-Zepeda, Francisco ;
Whetten, Robert L. ;
Jose-Yacaman, Miguel .
NANO LETTERS, 2014, 14 (11) :6718-6726
[9]   A NOTE ON VEGARD AND ZEN LAWS [J].
HAFNER, J .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1985, 15 (03) :L43-L48
[10]   Enzymatic Plasmonic Engineering of Ag/Au Bimetallic Nanoshells and Their Use for Sensitive Optical Glucose Sensing [J].
He, Haili ;
Xu, Xiaolong ;
Wu, Haoxi ;
Jin, Yongdong .
ADVANCED MATERIALS, 2012, 24 (13) :1736-1740