Theoretical Prediction of Silicether: A Two-Dimensional Hyperconjugated Disilicon Monoxide Nanosheet
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 the dehydrogenation may provide a good possibility of bottom-up growth of silicether. All these outstanding properties make silicether a promising candidate for the silicon-based nanoelectronic devices.
- This article is part of the themed collection: Nanoscale Advances HOT Article Collection