Strong enhancement of gold nanoparticle chemiresistor response to low-partitioning organic analytes induced by pre-exposure to high partitioning organics

Müller, K.‐H.; Patel, Nereus; Hubble, Lee J.; Cooper, James S.; Chow, Edith

doi:10.1039/c9cp06849j

Cited by 1 publication

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References 30 publications

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“…Especially in the medical, sports tracking, and virtual reality sectors, the market for reliable, affordable, and sensitive sensors is growing quickly. , Commercially available sensors, e.g., chemical sensors based on metal oxides, often face problems of low selectivity and high operating temperatures. , In contrast, organically capped or cross-linked metal nanoparticle assemblies have shown promising sensing properties at room temperature. , Gold nanoparticles (GNPs) are valuable due to their high stability and their well-controlled synthesis . In particular, in combination with thiols, GNP assemblies have been used as chemiresistors and as strain sensors. − Nowadays, various techniques for their fabrication exist, − opening up the opportunity to design well-controlled thin films for different sensing applications.…”

Section: Introductionmentioning

confidence: 99%

Cross-Linked Gold Nanoparticle Assemblies: What Can We Learn from Single Flat Interfaces?

Schaefer,

Liu,

Meyer

et al. 2024

J. Phys. Chem. C

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Cross-linked gold nanoparticle (GNP) assemblies are valuable for a variety of applications, such as transducers for strain or gas sensors. To pave the way for understanding their sensing behavior on an atomistic scale, we ask whether their properties can be modeled by a single, flat, particle–particle interface. Employing reactive force field (ReaxFF) molecular dynamics simulations and a tight-binding density functional theory approach to coherent tunneling, we find that for alkane dithiolates, where most molecules will typically bridge between the gold surfaces, the interparticle distances, as well as the conductivity of the assembly, can be modeled to even quantitative accuracy with a single-interface modelif compared to sufficiently large GPNs for which the flat surface is a good approximation. For alkane monothiols, where each molecule is only attached on one side, the difficulty of estimating surface density and the resulting degree of interlacing results, in our case, in underestimating the interparticle distances by around 5 Å. The increase of these distances (and the decrease of conductivity) on going to longer alkane chains, however, is still well reproduced. We discuss shortcomings of ReaxFF, such as not being able to describe thiol physisorption and producing spurious reactions between dithiolates, as well as factors influencing the validity of a single, flat, particle–particle interface model. Our model reduces the system complexity significantly compared to simulating entire GNP assemblies, enabling further mechanistic investigations of the sensing properties of these systems with atomistic approaches and, potentially, screening of ligands for specific sensing applications.

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Section: Introductionmentioning

confidence: 99%

Cross-Linked Gold Nanoparticle Assemblies: What Can We Learn from Single Flat Interfaces?

Schaefer,

Liu,

Meyer

et al. 2024

J. Phys. Chem. C

View full text Add to dashboard Cite

show abstract

Strong enhancement of gold nanoparticle chemiresistor response to low-partitioning organic analytes induced by pre-exposure to high partitioning organics

Abstract: A method to enhance the gold nanoparticle sensor response to weak analytes is demonstrated by pre-exposing the sensor to an analyte which elicits a strong response. This weak analyte effectively reduces the strong analyte interaction with the sensor.

Cited by 1 publication

References 30 publications

Cross-Linked Gold Nanoparticle Assemblies: What Can We Learn from Single Flat Interfaces?

Cross-Linked Gold Nanoparticle Assemblies: What Can We Learn from Single Flat Interfaces?

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