Issue 21, 2018

Tune the chemical activity of graphene via the transition metal substrate

Abstract

To achieve the chemical modification of graphene efficiently is desirable and essential to promote the technological applications of graphene. In this study, the density functional theory (DFT) calculations have been carried out to investigate the hydrogenation and fluorination activities of graphene on Ni(111), Re(0001) and Pt(111). The calculation results indicate that the chemical activity of graphene is related to both the characteristics of the graphene–substrate interfacial interaction and the local atomic stacking, namely the chemical activity of graphene is position-dependent. The strong covalently interacting substrates Ni(111) and Re(0001) will remarkably enhance the chemical activity of graphene, while the modulation effects from the weak van der Waals interacting substrate Pt(111) is trivial. Electronic structure studies reveal that the intensive graphene–substrate interfacial interaction can gain in chemical energy to offset the strain energy caused by the C atom sp2–sp3 transition and stabilize the absorbing state.

Graphical abstract: Tune the chemical activity of graphene via the transition metal substrate

Supplementary files

Article information

Article type
Paper
Submitted
24 1 2018
Accepted
19 3 2018
First published
27 3 2018
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2018,8, 11807-11812

Tune the chemical activity of graphene via the transition metal substrate

Y. Ma, L. Gao, Y. Yan, Y. Su and L. Qiao, RSC Adv., 2018, 8, 11807 DOI: 10.1039/C8RA00735G

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements