ArticleACS omega2023
Doped Graphene Quantum Dots UV-vis Absorption Spectrum: A High-Throughput TDDFT Study.
Article in ACS omega, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Room Temperature Conversion of COSmall methods · 2026Article
- Electronic and Optical Properties of Graphene Oxide Quantum Dots: DFT Insights of Mixed Vacancy and Dopants.ACS omega · 2026Article
- Ultra pure orange-emitting Sn:CuBr quantum dots for LED applications.Scientific reports · 2026Article
- Optimising bifacial dye-sensitized solar cells with graphene-enhanced TPT configuration photoanode for operational stability.Scientific reports · 2025Article
- Single Mitochondrion Morphology-Function Relationship Analysis Using Fluorescent Probes and Artificial Intelligence.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Recent Advancements in Graphene Quantum Dot-Based Bioimaging and Drug Delivery Systems.MedComm · 2025Review
- DFT-Based Functionalization of Graphene with Lithium-Modified Groups for Enhanced Hydrogen Detection: Thermodynamic, Electronic, and Spectroscopic Properties.Nanomaterials (Basel, Switzerland) · 2025Article
- Harnessing the power of traceable system C-GAP: homologous-targeting to fire up T-cell immune responses with low-dose irradiation.Journal of nanobiotechnology · 2025Article
- Graphene quantum dots for biosensing and bioimaging.RSC advances · 2024Review
- A DFT Study of Phosphate Ion Adsorption on Graphene Nanodots: Implications for Sensing.Sensors (Basel, Switzerland) · 2023Article
- Effect of hetero-atom doping on the electrocatalytic properties of graphene quantum dots for oxygen reduction reaction.Scientific reports · 2023Article
- Antioxidative and Photo-Induced Effects of Different Types of N-Doped Graphene Quantum Dots.Materials (Basel, Switzerland) · 2022Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We report on time-dependent density functional theory calculations of the excited states of 63 different graphene quantum dots (GQDs) in square shape with side lengths of 1, 1.5, and 2 nm. We investigate the systematics and trends in the UV-vis absorption spectra of these GQDs, which are doped with elements B, N, O, S, and P at dopant percentages of 1.5%, 3%, 5%, and 7%. The results show how the peaks in the UV and visible parts of the spectrum as well as the total absorption evolve in the chemical parameter space along the coordinates of size, dopant type, and dopant percentage. The absorption spectra calculated here can be used to obtain particular GQD mixture proportions that would yield a desired absorption profile such as flat absorption across the whole visible spectrum or one that is locally peaked around a chosen wavelength.
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Registered trials
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