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Electronic and structural properties of tetragraphenes
Carbon ( IF 10.5 ) Pub Date : 2020-10-01 , DOI: 10.1016/j.carbon.2020.05.030
Fabrício Morais de Vasconcelos , Antonio Gomes Souza Filho , Vincent Meunier , Eduardo Costa Girão

Abstract The search for targeted modifications of graphene to tune its electronic properties has stimulated the proposal of several new allotropic variations of carbon with s p and s p 2 hybridizations. In this study, a class of 2-dimensional carbon nanostructures with mixed s p 2 − s p 3 hybridization is theoretically investigated. These structures contain hexagonal and tetragonal cycles and are shown to exhibit metallic or semiconducting behaviors depending on structural parameters. The key for the manipulation of the physical properties is the extent of the system’s graphene-like section. Remarkable properties emerge, such as Dirac cones, which are allowed by the coupling between different sectors of the system as mediated by tetrahedrally-coordinated carbon atoms. In addition to fundamental properties, we also point aspects suggesting the experimental feasibility of these systems.

中文翻译:

四石墨烯的电子和结构特性

摘要 对石墨烯进行有针对性的修饰以调整其电子特性的研究激发了一些具有 sp 和 sp 2 杂化的碳的新同素异形变体的提议。本研究从理论上研究了一类具有混合sp 2 - sp 3 杂化的二维碳纳米结构。这些结构包含六边形和四边形循环,并根据结构参数显示出金属或半导体行为。操纵物理性质的关键是系统的石墨烯类部分的范围。出现了显着的特性,例如狄拉克锥体,这是由系统不同部分之间的耦合所允许的,由四面体配位的碳原子介导。除了基本属性,
更新日期:2020-10-01
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