Single-molecule Aflatoxin B1 Sensing via Pyrrole-based Molecular Quantum Dot

We investigate through ab-initio simulations the gold-8PyrroleDiThiol-gold (Au-8PyDT) molecular quantum dot as an amperometric single-molecule sensor for the aflatoxin B1 (AFB1) detection. We study the adsorption of AFB1 onto the Au-8PyDT and we analyze the transport characteristics for the most pro...

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Bibliographic Details
Main Authors: Mo, Fabrizio, Spano, Chiara Elfi, Ardesi, Yuri, Roch, Massimo Ruo, Piccinini, Gianluca, Graziano, Mariagrazia
Format: Conference Proceeding
Language:English
Subjects:
Adsorption
Electric potential
Feature extraction
Modulation
Quantum dots
Real-time systems
Sensitivity
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Summary:We investigate through ab-initio simulations the gold-8PyrroleDiThiol-gold (Au-8PyDT) molecular quantum dot as an amperometric single-molecule sensor for the aflatoxin B1 (AFB1) detection. We study the adsorption of AFB1 onto the Au-8PyDT and we analyze the transport characteristics for the most probable adsorption configuration. We find that a significant current modulation occurs, with around 80% of current decrease in presence of AFB1. Interestingly, the investigated sensor exhibits a voltage-dependent response, that we motivate through a transmission properties analysis. Our results, considering the synthesis simplicity of PolyPyrroles and their non-toxicity, motivate future research efforts in this direction.
ISSN:1944-9380
DOI:10.1109/NANO54668.2022.9928694