article · ACS Omega
Two-dimensional Janus monolayers have garnered attention as promising materials for photovoltaic applications due to their distinctive structural, electronic, and optical properties. In this work, we investigate the solar harvesting efficiency of Janus Y<sub>2</sub>CTI (T = Br, Cl, F, H) MXene monolayers using density functional theory and a maximally localized Wannier function tight-binding framework. Our results demonstrate an outstanding power conversion efficiency ranging from 31 to 32% for the investigated materials. These values were calculated at 300 K, incorporating the quasi-particle effects and considering the constraints imposed by the Shockley-Queisser limit. Furthermore, excitonic effects induced by quantum confinement contribute to exciton binding energies between 228 and 325 meV and indirect band gaps ranging from 1.23 to 1.33 eV, depending on compounds. Our results indicate a high potential of Janus Y<sub>2</sub>CTI MXene monolayers for photovoltaic applications and provide insights into their excitonic contribution.
This page summarises published work. The authoritative version sits with the publisher.
DOI: 10.1021/acsomega.5c05916
Is something wrong with this record? Report it or request removal.
Discussion
Have you built on this work, tried to replicate it, or seen it applied in practice? Share what you know. Verified researchers and MARATTO™ domain experts can open a discussion, and any member can reply. Contributions are reviewed before they appear.
No discussion yet. Open the first thread.
New to MARATTO™? Create a free account.
