| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Singh, Deobrat
KTH Royal Institute of Technology
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2022First-principles calculations to investigate electronic structure and optical properties of 2D MgCl2 monolayercitations
- 2022Stability of and conduction in single-walled Si2BN nanotubescitations
- 2022Two-Dimensional Perovskite/HfS2 van der Waals Heterostructure as an Absorber Material for Photovoltaic Applicationscitations
- 2022Probing the electronic, optical and transport properties of halide double perovskites Rb2InSb(Cl,Br)6 for solar cells and thermoelectric applicationscitations
- 20222D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applicationscitations
- 2021Asymmetry-Induced Redistribution in Sn(IV)–Ti(IV) Hetero-Bimetallic Alkoxide Precursors and Its Impact on Thin-Film Deposition by Metal–Organic Chemical Vapor Depositioncitations
- 2021Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayercitations
- 2020Rational Design of 2D h-BAs Monolayer as Advanced Sulfur Host for High Energy Density Li-S Batteriescitations
- 2020Rational Design of 2D h-BAs Monolayer as Advanced Sulfur Host for High Energy Density Li-S Batteriescitations
- 2019The influence of edge structure on the optoelectronic properties of Si2BN quantum dotcitations
- 2019The influence of edge structure on the optoelectronic properties of Si2BN quantum dotcitations
Places of action
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article
The influence of edge structure on the optoelectronic properties of Si2BN quantum dot
Abstract
<jats:p>In recent work, we have investigated the electronic and optical properties of pristine and functionalized Si2BN quantum dots (QDs) using first-principles calculations. Due to the edge functionalization, Si2BN QDs have binding energies of −0.96 eV and −2.08 eV per hydrogen atom for the adsorption of single and double hydrogen atoms, respectively. These results reveal the stability and the bonding nature of hydrogen at the edges of Si2BN QD. In particular, the charge transfer between hydrogen and other atoms is explicitly increased. The electronic band structure of pristine Si2BN QD shows a metallic behavior with a finite number of electronic states in the density of states at the Fermi level. The frequency-dependent optical properties, such as refractive index, extinction coefficient, absorption coefficient, electron energy loss spectra, and reflectivity, are computed for both the parallel and perpendicular components of electric field polarization. The higher absorption was found in the infrared regime. The present study shows that the functionalization of Si2BN QD by two hydrogen atoms is energetically stable. It offers a promising application of Si2BN QD, which can be used in optical nanodevices such as photodetectors and biomedical imagination.</jats:p>