期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 114, 期 3, 页码 1504-1511出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp909773x
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资金
- U.K. research council EPSRC [EP/GO03146/1]
- EPSRC [EP/G030146/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/G030146/1] Funding Source: researchfish
This paper deals with the computational study of the growth of small silver-cobalt clusters, modeled by a semiempirical potential. Both atom-by-atom growth molecular dynamics and simulations of freezing are used to identify formation patterns of silver-cobalt nanoalloys. Different pathways leading to core/shell and bicompartmentalized configurations, reminiscent of Janus geometry, are observed in cobalt-rich and in silver-rich alloys, respectively. The physical origin of the formation of asymmetric structures and their evolution toward core/shell motifs, as well as the opposite process, are discussed.
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