Nanoparticle networks as chemoselective sensing devices

TL;DR

This paper presents a theoretical study of gold nanoparticle networks linked with OPV molecules, demonstrating their potential as chemoselective sensors for TNT detection through conductance changes.

Contribution

The study provides a theoretical analysis linking electronic structure calculations to experimental observations, proposing nanoparticle networks as TNT-sensitive sensing devices.

Findings

Conductance drops significantly when TNT attaches to the network.

Theoretical results match experimental conductance reductions.

Nanoparticle networks can be designed as sensitive TNT sensors.

Abstract

We theoretically analyzed transport properties of a molecular network constructed of gold nanoparticles linked with oligophenylenevinulene (OPV) molecules. We showed that the conductance of such system was strongly reduced when trinitrotoluene (TNT) became attached to the OPV linkers in the network. The reported results are based on the ab inicio electronic structure calculations. These results corroborate and elucidate experiments which revealed significant drops in the conductance the network while the latter was exposed to TNT vapors. The results suggest that the detected sensitivity of transport characteristics of the considered nanoparticle network to TNT may be used to design a sensing nanodevice.