ArticleThe journal of physical chemistry. A2025
A Bottom-up Computational Study of Doped Amorphous Carbon Clusters as Precursors of Carbon Nanodots.
Article in The journal of physical chemistry. A, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Advances in Boron-Doped Carbon Dots: Computational Understanding on its Structural Modification and Multifunctional Applications.ACS omega · 2026Review
- Bioactive Amino-Carbon Dots for Sustainable Crop Protection: Cellular Uptake and Metabolomic Insights into the Antifungal and Antibacterial Activity in Tomato Plants.ACS applied materials & interfaces · 2026Article
- Investigating the Absorption Properties of Pure and Nitrogen-Doped Carbon Clusters as Models for the Core of Carbon Nanodots.The journal of physical chemistry. A · 2026Article
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In this work, we present a bottom-up computational study of unsaturated amorphous carbon clusters partially doped with nitrogen and other typical chemical groups. We focus on their structure and electronic properties with the aim of providing possible models of the amorphous portions of the core of carbon nanodots, a class of fluorescent carbon-based nanoparticles whose complex atomistic structure is not yet fully understood. Using the GOAT-EXPLORE algorithm in combination with semiempirical and DFT methods, we generated and optimized a broad ensemble of structural isomers for C
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