Pith. sign in

REVIEW

Not yet reviewed by Pith; the record is open.

This paper has not been read by Pith yet. Machine review is queued; the pith claim, tier, and objections will appear here once it completes.

SPECIMEN: schema-true, not a live event

T0 review · schema-true

One-sentence machine reading of the paper's core claim.

pith:XXXXXXXX · record.json · timestamp

arxiv 2304.12170 v2 pith:Q5I6AIMY submitted 2023-04-24 physics.chem-ph cond-mat.mtrl-sci

On Using Non-Kekule' Triangular Graphene Quantum Dots for Scavenging Hazardous Sulfur Hexafluoride Components

classification physics.chem-ph cond-mat.mtrl-sci
keywords functionalizedgqdsadsorptionpropertiestrianguleneb3lypdotselectronic
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
0 comments
read the original abstract

The goal of the present study is to explore how the size and functionalization of graphene quantum dots (GQDs) affect their sensing capabilities. Specifically, we investigated the adsorption of SO$_2$, SOF$_2$, SO$_2$F$_2$, and SF$_6$ on GQDs that were functionalized with -CH$_3$, - COCH$_3$, and -NH$_2$. We used density functional theory to analyze the electronic properties of these functionalized GQDs and found that the functionalization significantly altered their electronic properties. For example, the B3LYP H-L gap of pristine triangulene was 3.9eV, while the H-L gap of functionalized triangulene ranged from 2.8 eV-3.6 eV (using the B3LYP functional). Our results indicate that -NH2 functionalized phenalenyl and triangulene provide strong interaction with SO$_2$, with adsorption energies of -0.429 eV and -0.427 eV, respectively. These adsorption properties exhibit physisorption, leading to high gas sensitivity and superior recovery time. The findings of this study provide new insights into the potential use of GQDs for detecting the decomposed constituents of sulfur hexafluoride, which can be beneficial for assessing the operation status of SF$_6$ insulated devices. Overall, our calculations suggest that functionalized GQDs can be employed in gas insulated systems for partial discharge detection.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.