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Towards Digital Twins of Plasmonic Sensors: Constructing the Complex Numerical Model of a Plasmonic Sensor Based on Hexagonally Arranged Gold Nanoparticles

In this work, we aim to design the digital twin of a plasmonic sensor based on hexagonally arranged ellipsoidal gold nanoparticles fixed to a glass substrate. Based on electron microscopy images of three experimentally realized nanoparticle arrangement types, we constructed numerical models in envir...

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Autores principales: Bonyár, Attila, Kovács, Rebeka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10383685/
https://www.ncbi.nlm.nih.gov/pubmed/37513055
http://dx.doi.org/10.3390/nano13142044
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author Bonyár, Attila
Kovács, Rebeka
author_facet Bonyár, Attila
Kovács, Rebeka
author_sort Bonyár, Attila
collection PubMed
description In this work, we aim to design the digital twin of a plasmonic sensor based on hexagonally arranged ellipsoidal gold nanoparticles fixed to a glass substrate. Based on electron microscopy images of three experimentally realized nanoparticle arrangement types, we constructed numerical models in environments based on finite element method (FEM) and boundary element method (BEM), namely COMSOL Multiphysics for FEM and the MNPBEM Matlab Toolbox for BEM. Models with nonperiodic and periodic boundary conditions with different unit cells were constructed to study the plasmonic behavior of both the single ellipsoidal particles and the hexagonal nanoparticle arrangements. The effect of the geometrical parameters, namely the interparticle distance, the nanoparticle diameter and thickness, on the resulting LSPR peak positions and bulk refractive index sensitivities were studied in detail, also taking into account the effect of the SiO(2) substrate (pillars) under the ellipsoidal particles. We have demonstrated that by optimizing the models, the LSPR peak positions (and sensitivities) can match the experimentally measured values within 1 nm (nm/RIU) precision. The comparison of simulation conditions and the detailed discussion of the effect of the geometrical parameters and used gold dielectric functions on the obtained sensitivities can be very beneficial for the optimization of plasmonic sensor constructions through numerical simulations.
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spelling pubmed-103836852023-07-30 Towards Digital Twins of Plasmonic Sensors: Constructing the Complex Numerical Model of a Plasmonic Sensor Based on Hexagonally Arranged Gold Nanoparticles Bonyár, Attila Kovács, Rebeka Nanomaterials (Basel) Article In this work, we aim to design the digital twin of a plasmonic sensor based on hexagonally arranged ellipsoidal gold nanoparticles fixed to a glass substrate. Based on electron microscopy images of three experimentally realized nanoparticle arrangement types, we constructed numerical models in environments based on finite element method (FEM) and boundary element method (BEM), namely COMSOL Multiphysics for FEM and the MNPBEM Matlab Toolbox for BEM. Models with nonperiodic and periodic boundary conditions with different unit cells were constructed to study the plasmonic behavior of both the single ellipsoidal particles and the hexagonal nanoparticle arrangements. The effect of the geometrical parameters, namely the interparticle distance, the nanoparticle diameter and thickness, on the resulting LSPR peak positions and bulk refractive index sensitivities were studied in detail, also taking into account the effect of the SiO(2) substrate (pillars) under the ellipsoidal particles. We have demonstrated that by optimizing the models, the LSPR peak positions (and sensitivities) can match the experimentally measured values within 1 nm (nm/RIU) precision. The comparison of simulation conditions and the detailed discussion of the effect of the geometrical parameters and used gold dielectric functions on the obtained sensitivities can be very beneficial for the optimization of plasmonic sensor constructions through numerical simulations. MDPI 2023-07-11 /pmc/articles/PMC10383685/ /pubmed/37513055 http://dx.doi.org/10.3390/nano13142044 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Bonyár, Attila
Kovács, Rebeka
Towards Digital Twins of Plasmonic Sensors: Constructing the Complex Numerical Model of a Plasmonic Sensor Based on Hexagonally Arranged Gold Nanoparticles
title Towards Digital Twins of Plasmonic Sensors: Constructing the Complex Numerical Model of a Plasmonic Sensor Based on Hexagonally Arranged Gold Nanoparticles
title_full Towards Digital Twins of Plasmonic Sensors: Constructing the Complex Numerical Model of a Plasmonic Sensor Based on Hexagonally Arranged Gold Nanoparticles
title_fullStr Towards Digital Twins of Plasmonic Sensors: Constructing the Complex Numerical Model of a Plasmonic Sensor Based on Hexagonally Arranged Gold Nanoparticles
title_full_unstemmed Towards Digital Twins of Plasmonic Sensors: Constructing the Complex Numerical Model of a Plasmonic Sensor Based on Hexagonally Arranged Gold Nanoparticles
title_short Towards Digital Twins of Plasmonic Sensors: Constructing the Complex Numerical Model of a Plasmonic Sensor Based on Hexagonally Arranged Gold Nanoparticles
title_sort towards digital twins of plasmonic sensors: constructing the complex numerical model of a plasmonic sensor based on hexagonally arranged gold nanoparticles
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10383685/
https://www.ncbi.nlm.nih.gov/pubmed/37513055
http://dx.doi.org/10.3390/nano13142044
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