An in silico process for identifying the design of a nanostructured plasmonic sensor comprises the following operating steps: selecting an analyte; characterising the analyte with computational techniques; selecting at least one two- or three-dimensional nanostructured substrate having plasmonic characteristics; characterising each substrate with computational techniques; performing a mapping of the potential of interaction between the analyte and each substrate so as to identify, for each region and/or each atom of each substrate, a value of interaction with the analyte; calculating the spectral signal of the analyte adsorbed onto each substrate for at least one region and/or atom of each substrate; analytically evaluating an enhancement factor of each spectral signal calculated; and comparing each enhancement factor with a corresponding predefined minimum threshold value so as to evaluate whether the associated nanostructured plasmonic sensor is configured to perform detection of the analyte with single-molecule sensitivity.

PROCEDIMENTO IN-SILICO DI IDENTIFICAZIONE DEL DESIGN DI UN SENSORE PLASMONICO NANOSTRUTTURATO

CAPPELLI CHIARA;GIOVANNINI TOMMASO;BONATTI LUCA;LAFIOSCA PIERO;NICOLI LUCA
2022

Abstract

An in silico process for identifying the design of a nanostructured plasmonic sensor comprises the following operating steps: selecting an analyte; characterising the analyte with computational techniques; selecting at least one two- or three-dimensional nanostructured substrate having plasmonic characteristics; characterising each substrate with computational techniques; performing a mapping of the potential of interaction between the analyte and each substrate so as to identify, for each region and/or each atom of each substrate, a value of interaction with the analyte; calculating the spectral signal of the analyte adsorbed onto each substrate for at least one region and/or atom of each substrate; analytically evaluating an enhancement factor of each spectral signal calculated; and comparing each enhancement factor with a corresponding predefined minimum threshold value so as to evaluate whether the associated nanostructured plasmonic sensor is configured to perform detection of the analyte with single-molecule sensitivity.
2022
Chimica e Geologia
Settore CHEM-02/A - Chimica fisica
IT202200017058
102022000017058
Scuola Normale Superiore
102022000017058
102022000017058
   General Embedding Models for Spectroscopy (GEMS)
   GEMS
   European Commission
   H2020
   818064
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11384/161530
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