Si(C≡C)4-Based Single-Crystalline Semiconductor: Diamond-like Superlight and Superflexible Wide-Bandgap Material for the UV Photoconductive Device

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• 作者：Ming-Jun Sun ; Xinrui Cao ; Zexing Cao
• 刊名：ACS Applied Materials & Interfaces
• 出版年：2016
• 出版时间：July 6, 2016
• 年：2016
• 卷：8
• 期：26
• 页码：16551-16554
• 全文大小：345K
• 年卷期：0
• ISSN：1944-8252

文摘

A wide-bandgap SiC₄ semiconductor with low density and high elasticity has been designed and characterized by ab initio molecular dynamics simulations and first-principles calculations. The through-space conjugation among the d orbitals of Si and the π* orbitals of ethynyl moieties can remarkably enhance the photoconductivity. This new-type superlight and superflexible semiconductor is predicted to have unique electronic, optical, and mechanical properties, and it is a quite promising material for the high-performance UV optoelectronic devices suitable for various practical demands in a complex environment.