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Optics and Spectroscopy, 2024 Volume 132, Issue 3, Pages 222–229 (Mi os1161)

Proceedings of the International Conference The XXVII Annual International Conferences Saratov Fall Meeting 2023, September 25 - 29, 2023, Saratov, Russia
Optics of low-dimensional structures, mesostructures, and metamaterials

Optical and optoelectronic properties of oxidized borophene and oxidized borophene based van der Waals heterostructures

M. M. Slepchenkova, D. A. Kolosova, O. E. Glukhovaab

a Saratov State University, 410012 Saratov, Russia
b I. M. Sechenov First Moscow State Medical University, 119991 Moscow, Russia

Abstract: In this paper, we used to carry out a predictive analysis of the possibility of controlling the optical and optoelectronic properties of van der Waals quasi-2D heterostructures formed by buckled triangular borophene and monolayers of graphene-like gallium nitride GaN and zinc oxide ZnO, due to the functionalization of borophene with oxygen. The appearance of an energy gap in the band structure of the studied borophene/GaN and borophene/ZnO van der Waals heterostructures, caused by the presence of a gap between the valence band and the conduction band in the electronic structure of oxidized (O-) borophene, is discovered. It is shown that in the case of light polarization in the direction perpendicular to the zigzag edge of the borophene atomic lattice, a peak with an intensity of about 30% appears in the visible range of the absorption spectrum of heterostructures based on O-borophene and GaN/ZnO monolayers. At the same time, for heterostructures with pure borophene, the absorption value in the visible range was no more than 5–10%. It is revealed that the profiles of the photocurrent spectrum of O-borophene/GaN and O-borophene/ZnO heterostructures have a similar shape to the spectra of O-borophene. It is predicted that O-borophene/GaN and O-borophene/ZnO heterostructures may be promising as sensitive elements of solar cells operating both on the Earth's surface and beyond.

Keywords: density functional theory, absorption coefficient, photocurrent spectrum, light polarization, photovoltaics.

Received: 27.12.2023
Revised: 15.01.2024
Accepted: 05.03.2024

DOI: 10.61011/OS.2024.03.58141.33-24



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