PHP-graphene nanoribbon-assembled porous metallic carbon for sodium-ion battery anode with high specific capacity. (15th January 2023)

• Record Type: Journal Article
• Authors: Sun, Wei; Ni, Dongyuan; Wang, Qian
• Is Part Of: Carbon. Volume 202(2023)Part 1
• Page Start: 112
• Page End: 118
• Publication Date: 2023-01-15
• Subjects: PHP-graphene -- Nanoribbon assembly -- Porous metallic carbon -- Sodium-ion battery anode; Carbon -- Periodicals; Carbone -- Périodiques; Koolstof; Toepassingen; Electronic journals; 546.681
• DOI: 10.1016/j.carbon.2022.10.050
• Languages: English
• ISSNs: 0008-6223

Abstract

Abstract: In recent years, a number of three-dimensional (3D) porous metallic carbon allotropes have been proposed to be used as anode materials for metal-ion batteries by assembling graphene or penta-graphene nanoribbons. Here, based on density functional theory and tight-binding model, we design a new 3D porous metallic carbon monolith (termed Hex-C568 ) consisting of PHP-graphene nanoribbons which contain pentagonal, hexagonal and octagonal rings. It is thermally, dynamically and mechanically stable. We find that its metallicity is attributed to the delocalized electrons in the p -orbitals of the sp 2 hybridized carbon atoms, and Hex-C568 is a promising anode material for Na-ion batteries with high performance. Its reversible gravimetric and volumetric capacities are 787.53 mAhg −1 and 718.10 mAhcm −3, respectively, with low diffusion energy barrier (0.04–0.30 eV), low average open-circuit voltage (0.26 V), and small volume change during the charging/discharging process (3.71%). These electrochemical properties are superior to those of most recently reported anode materials, suggesting that PHP-graphene nanoribbon is a promising building unit for the design of novel carbon anode materials going beyond graphene and penta-graphene. Graphical abstract: Image 1 Highlights: Going beyond graphene and penta-graphene nanoribbons, we design a new stable 3D porous metallic carbon allotrope Hex-C568 by using PHP-graphene nanoribbons as the building block. Hex-C568 has rich binding sites and regularly distributed channels for the adsorption and transport of Na ions, showing promise as an anode material for SIBs.