Preference for a propellane motif in pure silicon nanosheets

文献情報

出版日 2014-05-01

DOI 10.1039/C4CP01286K

インパクトファクター 3.676

著者

S. Marutheeswaran, Pattath D. Pancharatna, Musiri M. Balakrishnarajan

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要旨

Free standing silicene nanosheets remain elusive presumably due to the instability associated with sp2 hybridized silicon atoms. Here we show that silicon prefers nanosheets based on the non-classical Si5 unit with a [1.1.1]-propellane motif that has two inverted tetrahedral atoms bridged by three tetrahedral atoms. DFT calculations show that nanosheets constructed exclusively from propellane building blocks are consistently more stable than those with sp2 silicon atoms or their hybrids. These nanosheets also exhibit a narrow but definite band gap, unlike those reported earlier.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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