Issue 48, 2017

Theoretical exploration of the potential applications of Sc-based MXenes

Abstract

Herein, we systematically explored the electronic properties of Sc-based MXenes via first-principles calculations, with the aim to extend their applicability. OH-Functionalized carbides and OH/SH-terminated nitrides manifest ultralow work functions, potential in field-effect transistors. Furthermore, we identified three novel semiconductors (Sc2CCl2, Sc2C(SH)2, and Sc2NO2). Specifically, Sc2NO2 is a spin gapless semiconductor, promising for spintronics. Type-II heterojunctions are readily available between Sc-based semiconducting MXenes, facilitating charge separation for optoelectronics and solar energy conversion. Further photocatalytic analysis indicates that Sc2CCl2 is capable of oxidizing H2O into O2.

Graphical abstract: Theoretical exploration of the potential applications of Sc-based MXenes

Article information

Article type
Paper
Submitted
12 sep 2017
Accepted
16 nov 2017
First published
16 nov 2017

Phys. Chem. Chem. Phys., 2017,19, 32253-32261

Theoretical exploration of the potential applications of Sc-based MXenes

J. Liu, X. Kan, B. Amin, L. Gan and Y. Zhao, Phys. Chem. Chem. Phys., 2017, 19, 32253 DOI: 10.1039/C7CP06224A

To request permission to reproduce material from this article, 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 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