2D janus niobium oxydihalide NbOXY: Multifunctional piezoelectric semiconductor for electronics, photonics, sensing and sustainable energy applications
Abstract
Two-dimensional (2D) niobium oxydihalide NbOI2 has been recently demonstrated as an excellent in-plane piezoelectric and nonlinear optical material. Here we show that Janus niobium oxydihalide, NbOXY (X, Y = Cl, Br, I and X ≠ Y), is a multifunctional anisotropic semiconductor family with exceptional piezoelectric, electronic, photocatalytic and optical properties. NbOXY are stable and flexible monolayers with band gap around the visible light regime of
- Publication:
-
Materials Today Physics
- Pub Date:
- February 2023
- DOI:
- 10.1016/j.mtphys.2023.101001
- arXiv:
- arXiv:2211.00560
- Bibcode:
- 2023MTPhy..3101001S
- Keywords:
-
- DFT simulation;
- 2D piezoelectric materials;
- Piezoresistance;
- Optical properties;
- Photocatalytic water splitting;
- Condensed Matter - Materials Science;
- Condensed Matter - Mesoscale and Nanoscale Physics;
- Physics - Applied Physics
- E-Print:
- 16 Pages, 7 Figures, 3 Tables