PSI (ψ)-graphene is a dynamically and thermally stable two-dimensional (2D) allotrope of carbon composed of 5-6-7 carbon rings. Herein, we study the opto/mechanical behavior of two graphene allotropes, Ψ-graphene and its hydrogenated form, Ψ-graphane under uniaxial and biaxial strain using density functional theory (DFT) calculations. We calculated the elastic constants and second Piola-Kirchhoff (PK2) stresses, in which both nanostructures indicate a similar elasticity behavior to graphene. Also, the plasmonic behavior of these structures in response to various strains has been studied. As a result, plasmonic peaks varied up to about 2 eV under strain. Our findings reveal that these two structures have a large peak in the ultraviolet (UV) region and can be tuned by different applied strain. In addition, Ψ-graphene has smaller peaks in the IR and UV regions. Therefore, both Ψ-graphene and Ψ-graphane can be used as UV optomechanical sensors, whereas Ψ-graphene could be used as an infrared (IR) and visible sensor.

中文翻译：

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氢化Ψ-石墨烯作为紫外光机械传感器

PSI (ψ)-石墨烯是一种动态且热稳定的二维 (2D) 碳同素异形体，由 5-6-7 个碳环组成。在此，我们使用密度泛函理论 (DFT) 计算研究了两种石墨烯同素异形体 Ψ-石墨烯及其氢化形式 Ψ-石墨烷在单轴和双轴应变下的光学/机械行为。我们计算了弹性常数和第二 Piola-Kirchhoff (PK2) 应力，其中两种纳米结构都显示出与石墨烯相似的弹性行为。此外，已经研究了这些结构响应各种应变的等离子体行为。结果，等离子体峰在应变下变化高达约 2 eV。我们的研究结果表明，这两种结构在紫外 (UV) 区域具有较大的峰值，并且可以通过不同的施加应变进行调整。此外，Ψ-石墨烯在 IR 和 UV 区域具有较小的峰。因此，Ψ-石墨烯和Ψ-石墨烯都可以用作紫外光机械传感器，而Ψ-石墨烯可以用作红外（IR）和可见光传感器。