C6N3: A novel 2D carbon nitride with sp-N as support for efficient hydrogen production
- Authors
- Yuan, Y.[Yuan, Y.]; Song, X.[Song, X.]; Kang, B.[Kang, B.]; Yong, Lee J.[Yong, Lee J.]
- Issue Date
- Apr-2022
- Publisher
- Academic Press Inc.
- Keywords
- Carbon nitrides; Density functional theory; Hydrogen production; Single metal catalyst; Two dimensional
- Citation
- Journal of Colloid and Interface Science, v.611, pp.472 - 479
- Indexed
- SCIE
SCOPUS
- Journal Title
- Journal of Colloid and Interface Science
- Volume
- 611
- Start Page
- 472
- End Page
- 479
- URI
- https://scholarworks.bwise.kr/skku/handle/2021.sw.skku/94560
- DOI
- 10.1016/j.jcis.2021.12.129
- ISSN
- 0021-9797
- Abstract
- Two-dimensional (2D) carbon nitrides (CxNy) have great potential in advanced fields such as energy harvest and storage. We report a novel 2D CxNy, C6N3, comprising sp-N and sp2-C atoms. Density functional theory calculations indicate that electronically, thermally, and dynamically stable C6N3 is metallic even when cut into very narrow nanoribbons. C6N3 adsorbed single atoms of 3d, 4d, and 5d transition metals to fabricate single-atom catalysts (SACs) for an electrocatalytic hydrogen evolution reaction (HER). Among all SACs studied, Ti-, Cr-, Zr-, and Hf-embedded C6N3 had excellent overall performance including promising stability, moderate binding strength of H and H2, and good electrical conductivity. Our results suggest a novel C6N3 with an sp-N skeleton that has great potential for HER. More investigations are needed to further understand the properties and applications of C6N3 in other fields. © 2021 Elsevier Inc.
- Files in This Item
- There are no files associated with this item.
- Appears in
Collections - ETC > 1. Journal Articles
![qrcode](https://api.qrserver.com/v1/create-qr-code/?size=55x55&data=https://scholarworks.bwise.kr/skku/handle/2021.sw.skku/94560)
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.