Si(C=C)4-Based Single-Crystalline SemiconductorDiamond-like Superlight and Superflexible Wide-Bandga

来源 :第八届国际分子模拟与信息技术应用学术会议 | 被引量 : 0次 | 上传用户:guzhilun820
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  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.
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