Issue 17, 2021

Graphynes as emerging 2D-platforms for electronic and energy applications: a computational perspective

Abstract

Among all the 2D-carbon materials, graphyne is currently one of the most interesting carbon allotropes besides graphene. It has potential applications in a wide variety of scientific fields owing to its unique sp–sp2 hybrid network, which endows desirable electronic properties towards energy-related applications. In this review, we summarize the recent progress in graphynes for electronic and energy applications from a theoretical point of view. The intrinsic electronic structure of graphyne and its chemical and mechanical properties are comprehensively described. It is hoped that this review could provide a strong theoretical understanding of graphynes, thus accelerating the design of robust and efficient graphyne-based advanced energy and electronic devices in the future.

Graphical abstract: Graphynes as emerging 2D-platforms for electronic and energy applications: a computational perspective

Article information

Article type
Review Article
Submitted
18 Apr 2021
Accepted
21 Jun 2021
First published
28 Jun 2021

Mater. Chem. Front., 2021,5, 6392-6412

Graphynes as emerging 2D-platforms for electronic and energy applications: a computational perspective

T. He, Y. Kong, A. R. Puente Santiago, M. A. Ahsan, H. Pan and A. Du, Mater. Chem. Front., 2021, 5, 6392 DOI: 10.1039/D1QM00595B

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