Issue 42, 2019

Stabilities, and electronic and piezoelectric properties of two-dimensional tin dichalcogenide derived Janus monolayers

Abstract

Using first-principles calculations, the stabilities, electronic structures and piezoelectric properties of two-dimensional (2D) tin dichalcogenide derived Janus SnXY monolayers (X = O, S, Se, Te; Y = O, S, Se, Te; X ≠ Y) are systematically investigated. Apart from the structural instability of SnOTe, all the other Janus monolayers are proved to be thermodynamically, dynamically and mechanically stable. The electronic property calculations demonstrate that Te-participated Janus systems are always metallic and the other systems have a band gap in the range of 0.33–1.74 eV. The appropriate valence band maximum positions guarantee these semiconducting Janus monolayers to be applied as effective catalysts for the oxygen reduction reaction. Due to losing the inversion symmetry, Janus materials exhibit piezoelectric properties. Surprisingly, the largest predicted in-plane piezoelectric coefficient d11 for SnOSe is as high as 27.3 pm V−1, which is one order of magnitude greater than those of reported fashionable piezoelectric materials, such as quartz, MoS2, etc. Our results indicate that 2D tin dichalcogenide derived Janus monolayers are strong candidates for future atomically thin piezoelectric applications in the fields of transducers, sensors, and energy harvesting devices.

Graphical abstract: Stabilities, and electronic and piezoelectric properties of two-dimensional tin dichalcogenide derived Janus monolayers

Article information

Article type
Paper
Submitted
12 Aug 2019
Accepted
27 Sep 2019
First published
27 Sep 2019

J. Mater. Chem. C, 2019,7, 13203-13210

Stabilities, and electronic and piezoelectric properties of two-dimensional tin dichalcogenide derived Janus monolayers

X. Zhang, Y. Cui, L. Sun, M. Li, J. Du and Y. Huang, J. Mater. Chem. C, 2019, 7, 13203 DOI: 10.1039/C9TC04461B

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