Work

Transformation of the Epoxy Group into an Ether Bridge in Graphene Quantum Dots: A DFT Study

Year: 2025

Type: preprint

Abstract: In this work, the transformation of the epoxy functional group into an ether bridge in graphene quantum dots (GQDs) is investigated. Metastable configurations of GQDs were studied to minimize the influence of thermal activation. The key factors initiating the transformation were identified, and the contribution of the ether bridge to the changes in binding energy and band gap of GQDs was determined.

Source: ChemRxiv

DOI: 10.26434/chemrxiv-2025-tddw1

Authors: Dmitry Romanov, Igor Ershov, Anatoly Lavrentyev

Institution: Don State Technical University

Language: English

Topic: Carbon and Quantum Dots Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funder: Russian Science Foundation

Award: G3538445144

OpenAlex ID: W4412901271

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