期刊
JOURNAL OF CHEMICAL PHYSICS
卷 136, 期 2, 页码 -出版社
AIP Publishing
DOI: 10.1063/1.3672166
关键词
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资金
- Shearman Research Initiative Fund
- McNeese Alumni Association
- DFG [GA 389/15-1]
- Division of Materials Science and Engineering, Basic Energy Sciences, U.S. Department of Energy [DE-FG02-09ER46558]
Theoretical calculations based on density functional theory have found (PbS)(32) to be the smallest cubic cluster for which its inner (PbS)(4) core enjoys bulk-like coordination. Cubic (PbS)(32) is thus a baby crystal, i.e., the smallest cluster, exhibiting sixfold coordination, that can be replicated to obtain the bulk crystal. The calculated dimensions of the (PbS)(32) cluster further provide a rubric for understanding the pattern of aggregation when (PbS)(32) clusters are deposited on a suitable surface, i.e., the formation of square and rectangular, crystalline nano-blocks with predictable dimensions. Experiments in which mass-selected (PbS)(32) clusters were soft-landed onto a highly ordered pyrolytic graphite surface and the resulting aggregates imaged by scanning tunneling microscopy provide evidence in direct support of the computational results. (C) 2012 American Institute of Physics. [doi:10.1063/1.3672166]
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