Graphynes as emerging 2D-platforms for electronic and energy applications: a computational perspective. (23rd July 2021)

• Record Type: Journal Article
• Authors: He, Tianwei; Kong, Youchao; Puente Santiago, Alain R.; Ahsan, Md Ariful; Pan, Hui; Du, Aijun
• Is Part Of: Materials chemistry frontiers. Volume 5:Number 17(2021)
• Page Start: 6392
• Page End: 6412
• Publication Date: 2021-07-23
• Subjects: Materials science -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1039/d1qm00595b
• Languages: English
• ISSNs: 2052-1529

Abstract

Abstract : Theoretical exploration accelerates the design of robust and efficient graphyne-based advanced energy and electronic devices for real applications. 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–sp 2 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.