A biphenylene nanoribbon-based 3D metallic and ductile carbon allotrope. Issue 10 (22nd February 2022)

• Record Type: Journal Article
• Authors: Sun, Wei; Shen, Yiheng; Ni, Dongyuan; Wang, Qian
• Is Part Of: Nanoscale. Volume 14:Issue 10(2022)
• Page Start: 3801
• Page End: 3807
• Publication Date: 2022-02-22
• Subjects: Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.505
• DOI: 10.1039/d1nr08384h
• Languages: English
• ISSNs: 2040-3364

Abstract

Abstract : Assembling two-dimensional (2D) sheets for three-dimensional (3D) functional materials is of current interest. Abstract : Assembling two-dimensional (2D) sheets for three-dimensional (3D) functional materials is of current interest. Motivated by the recent experimental synthesis of 2D biphenylene [ Science 372 (2021) 852], we propose a new porous 3D metallic carbon structure, named T48-carbon, by using biphenylene nanoribbons as the building block. Based on state-of-the-art theoretical calculations, we find that T48-carbon is not only dynamically, thermally, and mechanically stable, but also energetically more favorable as compared with some other theoretically predicted carbon allotropes. Especially, T48-carbon exhibits mechanical anisotropy, ductility and intrinsic metallicity. A detailed analysis of electronic properties reveals that the metallicity mainly comes from the p z -orbital of sp 2 -hybridized carbon atoms. This work shows the promise of design and synthesis of 3D biphenylene-based metallic carbon materials with novel properties.