Photochemical fluorination of graphitic carbon nitride quantum dots: Fluorescent properties, and their mechanisms

• Published in: Journal of luminescence 2024-05, Vol.269, p.120491, Article 120491
• Main Authors: Lu, Xuemei, Liao, Lixin, Cui, Yuhang, Cheng, Longxu, Zhang, Mao, Lv, Fengzhen, Zhu, Changming, Liu, Jun, Kong, Wenjie, Yu, Guibo, Liu, Fuchi, Yang, Yong, Li, Wei
• Format: Article
• Language: English
• Subjects: Density functional theory calculations; Fluorinated graphitic carbon nitride quantum dots; Photoluminescence; Red-shift
• ISSN: 0022-2313; 1872-7883
• DOI: 10.1016/j.jlumin.2024.120491

Fluorinated graphitic carbon nitride quantum dots (F-GCNQDs) with adjustable photoluminescence (PL) were prepared by a facile photochemical method using graphitic carbon nitride quantum dots (GCNQDs) powder as the precursor and XeF2 as the dopant source. It is observed that the emission peaks of the F-GCNQDs exhibit a maximal red-shift of about 8.8 nm compared to that of the GCNQDs. Density functional theory (DFT) calculations reveal that such red-shifts can be understood by the enhancement of electron-ion core interactions upon the addition of F to C, where the presence of strongly electronegative F atoms leads to a drop in the highest unoccupied energy level. •The PL of F-GCNQDs exhibits a maximal blue-shift of 8.8 nm compared to that of the GCNQDs.•Doping of F atoms can tune the band gap of GCNQDs.•Density functional theory calculations support the above results.