Electronic properties of two-dimensional rectangular graphyne based on phenyl-like building blocks

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends Pub Date : 2024-09-01 DOI:10.1016/j.cartre.2024.100395

Anderson Gomes Vieira , Marcelo Lopes Pereira Júnior , Vincent Meunier , Eduardo Costa Girão

{"title":"Electronic properties of two-dimensional rectangular graphyne based on phenyl-like building blocks","authors":"Anderson Gomes Vieira , Marcelo Lopes Pereira Júnior , Vincent Meunier , Eduardo Costa Girão","doi":"10.1016/j.cartre.2024.100395","DOIUrl":null,"url":null,"abstract":"<div><p>A rectangular graphyne sheet is composed of units similar to phenyl rings that are linked by acetylenic chains, as in hexagonal <span><math><mi>γ</mi></math></span>-graphyne. This system is organized over a rectangular lattice similar to that of the recently synthesized biphenylene network. We investigate the stability of this layered material from different perspectives and study its electronic structure. Rectangular graphyne is a semiconducting system in its pristine form. It features a pair of highly localized states. These characteristics are correlated with the structural anisotropy of the system, since its frontier states behave like quasi-1D states embedded in the 2D lattice. We further consider modified systems in which longer acetylenic links are introduced. We discuss how a strategic choice of the position of these longer bridges leads to specific changes of the electronic structure of the rectangular graphyne sheet.</p></div>","PeriodicalId":52629,"journal":{"name":"Carbon Trends","volume":"16 ","pages":"Article 100395"},"PeriodicalIF":3.1000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667056924000762/pdfft?md5=dd06661e84df7d0aa6b776407dcd7a5c&pid=1-s2.0-S2667056924000762-main.pdf","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Carbon Trends","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2667056924000762","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

A rectangular graphyne sheet is composed of units similar to phenyl rings that are linked by acetylenic chains, as in hexagonal $γ$ -graphyne. This system is organized over a rectangular lattice similar to that of the recently synthesized biphenylene network. We investigate the stability of this layered material from different perspectives and study its electronic structure. Rectangular graphyne is a semiconducting system in its pristine form. It features a pair of highly localized states. These characteristics are correlated with the structural anisotropy of the system, since its frontier states behave like quasi-1D states embedded in the 2D lattice. We further consider modified systems in which longer acetylenic links are introduced. We discuss how a strategic choice of the position of these longer bridges leads to specific changes of the electronic structure of the rectangular graphyne sheet.

查看原文本刊更多论文

基于类苯基结构单元的二维矩形石墨烯的电子特性

矩形石墨烯薄片由类似于苯基环的单元组成，这些单元通过乙炔链连接起来，就像六边形γ-石墨烯一样。该系统的矩形晶格与最近合成的联苯网络相似。我们从不同角度研究了这种层状材料的稳定性，并对其电子结构进行了研究。矩形石墨烯是一种原始的半导体系统。它具有一对高度局域化的状态。这些特征与系统的结构各向异性相关，因为其前沿态的行为类似于嵌入二维晶格中的准一维态。我们进一步考虑了引入较长乙炔链的改良系统。我们讨论了这些长桥位置的策略性选择如何导致矩形石墨烯薄片电子结构的特定变化。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Carbon Trends Materials Science-Materials Science (miscellaneous)

CiteScore

4.60

自引率

0.00%

发文量

审稿时长

77 days