Article
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2D Hexagonal Boron Nitride for Solar Energy Conversions
Version 1
: Received: 17 March 2022 / Approved: 21 March 2022 / Online: 21 March 2022 (08:19:49 CET)
How to cite: Ramanathan, A. 2D Hexagonal Boron Nitride for Solar Energy Conversions. Preprints 2022, 2022030276. https://doi.org/10.20944/preprints202203.0276.v1 Ramanathan, A. 2D Hexagonal Boron Nitride for Solar Energy Conversions. Preprints 2022, 2022030276. https://doi.org/10.20944/preprints202203.0276.v1
Abstract
The optoelectronic properties of free standing monolayer (ML) hexagonal boron nitride (h-BN) is investigated for potential solar energy conversion applications using the Density Functional Theory (DFT) full potential linearized augmented plane wave (FP-LAPW) method. In addition, the bulk optical properties have also been calculated for the sake of comparison. The dielectric functions, optical conductivities and the optical constants are evaluated using the relaxed structures from electronic total energy pseudopotential calculations. The results reinforce previous research on h-BN DUV optoelectronics and demonstrate the suitability of its use as a component in deep ultraviolet (DUV) and energy conversion devices.
Keywords
DFT_PAW; DUV; dynamic electrical conductivity; dielectric function; optical constants
Subject
Chemistry and Materials Science, Materials Science and Technology
Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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