Size and composition dependence of the frozen structures in Co-based bimetallic clusters

作者：Li Guojian; Wang Qiang^*; Cao Yongze; Du Jiaojiao; He Jicheng

来源：Physics Letters A, 2012, 376(4): 534-537.

DOI：10.1016/j.physleta.2011.10.069

• Bimetallic cluster
• Freezing
• Molecular dynamics

This Letter studies the size-dependent freezing of Co, Co-Ni, and Co-Cu clusters by using molecular dynamics with embedded atom method. Size effect occurs in these three types of clusters. The clusters with large sizes always freeze to form their bulk-like structures. However. the frozen structures for small sizes are generally related to their compositions. The icosahedral clusters are formed for Co clusters (for <= 3.2 nm diameter) and also for Co-Ni clusters but at a larger size range (for <= 4.08 nm). Upon the Co-Cu clusters, decahedral structure is obtained for small size (for 2.47 nm). The released energy induced the structural transformation plays a key role in the frozen structures. These results indicate that the preformed clusters with special structures can be tuned by controlling their compositions and sizes.

• 出版日期2012-1-9
• 单位东北大学