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

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.

SUBMITTER: Zhu GL

PROVIDER: S-EPMC9417710 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

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

Zhu Gui-Lin GL Ye Xiao-Juan XJ Liu Chun-Sheng CS Yan Xiao-Hong XH

Nanoscale advances 20200515 7

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 ...[more]

PMID: 36132376

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

Publications

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

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