Issue 1, 2019

Rational design of C2N-based type-II heterojunctions for overall photocatalytic water splitting

Abstract

Photocatalytic water splitting is a promising method for the production of clean energy and searching for efficient photocatalysts has received extensive attention. Fabricating type-II heterojunctions is an effective approach to improve the photocatalytic efficiency. Based on the band edge positions and lattice parameters, we found that several kinds of monochalcogenide monolayers can be used to fabricate type-II heterojunctions with C2N monolayers. C2N/GaTe and C2N/InTe van der Waals (vdW) heterojunctions were investigated as potential photocatalysts for water splitting by means of first-principles computations. Both are type-II heterojunctions, and could promote the efficient spatial separation of electron–hole pairs. Their band edges straddle water redox potentials, satisfying the requirements for photocatalytic water splitting. Besides, the high carrier mobility of C2N/GaTe and C2N/InTe heterojunctions implies that the transfer of carriers to reactive sites is easy, and the recombination probability of photo-generated carriers is reduced. The Gibbs free energy calculations indicate that C2N/GaTe and C2N/InTe heterojunctions, especially C2N/InTe, exhibit high catalytic performance towards hydrogen and oxygen evolution reactions. Particularly, C2N/InTe exhibits a direct band gap with strong absorption in both visible and near ultraviolet regions, indicating that it is a very promising candidate for photocatalytic water splitting. This work would provide a new idea for the development of type-II heterojunctions for photocatalytic water splitting.

Graphical abstract: Rational design of C2N-based type-II heterojunctions for overall photocatalytic water splitting

Supplementary files

Article information

Article type
Paper
Submitted
12 juil. 2018
Accepted
10 sept. 2018
First published
11 sept. 2018
This article is Open Access
Creative Commons BY-NC license

Nanoscale Adv., 2019,1, 154-161

Rational design of C2N-based type-II heterojunctions for overall photocatalytic water splitting

X. Zhang, A. Chen, Z. Zhang, M. Jiao and Z. Zhou, Nanoscale Adv., 2019, 1, 154 DOI: 10.1039/C8NA00084K

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