most citedDoped Graphene Quantum Dots UV-Vis Absorption Spectrum: A high-throughput TDDFT study

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cond-mat.mtrl-sci2024

Unveiling the Design Rules for Tunable Emission in Graphene Quantum Dots: A High-Throughput TDDFT and Machine Learning Perspective

Mustafa Çoşkun Özdemir, Caner Ünlü, Şener Özönder

We present time-dependent density functional theory (TDDFT) calculations of fluorescence emission energies for 284 distinct graphene quantum dots (GQDs) of varying shapes (square,…