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Optical and optoelectronic properties of oxidized borophene and oxidized borophene based van der Waals heterostructures
Russian version
Slepchenkov M. M. 1, Kolosov D.A. 1, Glukhova O.E. 1,2
1Saratov State University, Saratov, Russia
2I.M. Sechenov First Moscow State Medical University, Moscow, Russia
Email: slepchenkovm@mail.ru, kolosovda@bk.ru, glukhovaoe@info.sgu.ru
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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.
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