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Issue 7, 2020
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Theoretical prediction of silicether: a two-dimensional hyperconjugated disilicon monoxide nanosheet

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Abstract

The gapless feature and air instability greatly hinder the applications of silicene in nanoelectronics. We theoretically design an oxidized derivative of silicene (named silicether) assembled by disilyl ether molecules. Silicether has an indirect band gap of 1.89 eV with a photoresponse in the ultraviolet-visible region. In addition to excellent thermodynamic stability, it is inert towards oxygen molecules. The material shows the hyperconjugation effect, leading to high performances of in-plane stiffness (107.8 N m−1) and electron mobility (6.4 × 103 cm2 V−1 s−1). Moreover, the uniaxial tensile strain can trigger an indirect–direct–indirect band gap transition. We identify Ag(100) as a potential substrate for the adsorption and dehydrogenation of disilyl ether. The moderate reaction barriers of dehydrogenation may provide a good possibility of bottom-up growth of silicether. All these outstanding properties make silicether a promising candidate for silicon-based nanoelectronic devices.

Graphical abstract: Theoretical prediction of silicether: a two-dimensional hyperconjugated disilicon monoxide nanosheet

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Supplementary files

Article information


Submitted
10 Feb 2020
Accepted
14 May 2020
First published
15 May 2020

This article is Open Access

Nanoscale Adv., 2020,2, 2835-2841
Article type
Paper

Theoretical prediction of silicether: a two-dimensional hyperconjugated disilicon monoxide nanosheet

G. Zhu, X. Ye, C. Liu and X. Yan, Nanoscale Adv., 2020, 2, 2835
DOI: 10.1039/D0NA00110D

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