Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5417375 | Journal of Molecular Structure: THEOCHEM | 2009 | 5 Pages |
Abstract
By molecular dynamics with the Gupta potential the structures and energies are calculated of complete-shell silver clusters AgN (N = 13-6525) for the icosahedral noncrystalline structure and the cuboctahedral c.c.p. structure. The results are such that clusters for N ⩽ 1415 (3.6 nm in diameter) favor the icosahedral noncrystalline structure and those for N ⩾ 2057 (4.1 nm) favor the cuboctahedral c.c.p. structure. The crossover of these structures is estimated to take place at N = 1590 (3.7 nm).
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Chikara Amano, Hidemi Niina, Yosuke Mikami,