Design and Prediction of a Novel Two-Dimensional Carbon Nanostructure with In-Plane Negative Poisson's Ratio. (25th February 2019)

• Record Type: Journal Article
• Authors: Yuan, Kun; Li, Meng-Yang; Liu, Yan-Zhi; Li, Ren-Zhong
• Other Names: Sun Xuping Academic Editor.
• Is Part Of: Journal of nanomaterials. Volume 2019(2019)
• Publication Date: 2019-02-25
• Subjects: Nanostructured materials -- Periodicals; Nanotechnology -- Periodicals; Nanomatériaux; Nanostructured materials; Nanotechnology; Nanostructures; Nanotechnology; Periodicals; Fulltext; Internet Resources; Periodicals; 620.115
• DOI: 10.1155/2019/8618159
• Languages: English
• ISSNs: 1687-4110

Abstract

Abstract : The intrinsic negative Poisson's ratio effect in 2-dimensional nanomaterials have attracted a lot of research interests due to its superior mechanical properties, and new mechanisms have emerged in the nanoscale. In this paper, we designed a novel graphyne-like two-dimensional carbon nanostructure with a "butterfly" shape (GL-2D-1) and its configuration isomer with a "herring-bone" form (GL-2D-2) by means of density functional theoretical calculation and predicted their in-plane negative Poisson's ratio effect and other mechanical properties. Both GL-2D-1 and GL-2D-2 present a significant negative Poisson's ratio effect under different specific strains conditions. By contrast, GL-2D-2 presents a much stronger negative Poisson's ratio effect and mechanical stability than does GL-2D-1. It is hoped that this work could be a useful structural design strategy for the development of the 2D carbon nanostructure with the intrinsic negative Poisson's ratio.