Prediction of atomic structure of Pt-based bimetallic nanoalloys by using genetic algorithm

作者: Jung Soo Oh , Ho-Seok Nam , Jung-Hae Choi , Seung-Cheol Lee

DOI: 10.1007/S12540-013-3020-Z

关键词: Molecular dynamicsTruncated octahedronChemical physicsBimetallic stripNanotechnologyAtomMetalMaterials scienceSpinodal decompositionSurface energyNanoparticleMaterials ChemistryMechanics of MaterialsCondensed matter physicsMetals and Alloys

摘要: … Anyhow, this core-shell Pt-Au nanoalloy structure agrees with the MD [31,42] or MC [11] studies on nanoparticles of different shapes and smaller (<1,000 atoms) sizes. In particular, for …

参考文章(37)
Lijia Qin, Yonghong Zhang, Shiping Huang, Huiping Tian, Peng Wang, None, Atomic-scale structure of Co-Pt bimetallic nanoparticles: Monte Carlo simulations Physical Review B. ,vol. 82, pp. 075413- ,(2010) , 10.1103/PHYSREVB.82.075413
Seung-Cheol Lee, Young-Su Lee, Woo-Sang Jung, Jung-Hae Choi, Predictions on atomic structures of Ti1−xMoxC using combined approach of first-principles calculation and the cluster expansion method Metals and Materials International. ,vol. 15, pp. 797- 801 ,(2009) , 10.1007/S12540-009-0797-2
Lin-Lin Wang, Duane D. Johnson, Predicted trends of core-shell preferences for 132 late transition-metal binary-alloy nanoparticles. Journal of the American Chemical Society. ,vol. 131, pp. 14023- 14029 ,(2009) , 10.1021/JA903247X
Y.G. Shen, D.J. O'Connor, K. Wandelt, R.J. MacDonald, Studies of surface composition and structure of Cu3Pt(111) by low energy alkali ion scattering Surface Science. ,vol. 328, pp. 21- 31 ,(1995) , 10.1016/0039-6028(95)00017-8
Zhen Yang, Xiaoning Yang, Zhijun Xu, Molecular Dynamics Simulation of the Melting Behavior of Pt−Au Nanoparticles with Core−Shell Structure Journal of Physical Chemistry C. ,vol. 112, pp. 4937- 4947 ,(2008) , 10.1021/JP711702Y
Chin-Lung Kuo, Paulette Clancy, Melting and freezing characteristics and structural properties of supported and unsupported gold nanoclusters. Journal of Physical Chemistry B. ,vol. 109, pp. 13743- 13754 ,(2005) , 10.1021/JP0518862
Riccardo Ferrando, Alessandro Fortunelli, Roy L. Johnston, Searching for the optimum structures of alloy nanoclusters Physical Chemistry Chemical Physics. ,vol. 10, pp. 640- 649 ,(2008) , 10.1039/B709000E
A. V. Nakin, V. S. Khmelevskaya, Structure and properties of clusters in FCC materials Crystallography Reports. ,vol. 51, pp. 322- 328 ,(2006) , 10.1134/S1063774506020209
Lei Deng, Wangyu Hu, Huiqiu Deng, Shifang Xiao, Surface Segregation and Structural Features of Bimetallic Au−Pt Nanoparticles Journal of Physical Chemistry C. ,vol. 114, pp. 11026- 11032 ,(2010) , 10.1021/JP100194P
Marcelo M. Mariscal, Sergio A. Dassie, Ezequiel P. M. Leiva, Collision as a way of forming bimetallic nanoclusters of various structures and chemical compositions. Journal of Chemical Physics. ,vol. 123, pp. 184505- 184505 ,(2005) , 10.1063/1.2104487