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A series of nanostructures of Zinc Sulfide (ZnS), including the small ZnnSn(n=1–15) clusters, the magic cage-like Zn12S12 and its derivants (Zn12S12-based dimers, trimers, nanowires and monolayer) were systematically investigated by using a first-principles bottom-up calculation. The results show that the Zn12S12 cage-like structure with six isolated four-membered rings (4NRs) and eight six-membered...
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