Investigating the electronic properties of edge glycine/biopolymer/graphene quantum dots

Abstract This study systematically investigated four types of graphene quantum dots (GQDs) AHEX, ZTRI, ZHEX, and ATRI, and their interactions with glycine to form GQD-glycine complexes. Utilizing density functional theory (DFT) and the PM6 semiempirical method, the study analyzed electronic properti...

Full description

Bibliographic Details
Published in:Scientific Reports
Main Authors: Nayera M. El-Sayed, Hanan Elhaes, Asmaa Ibrahim, Medhat A. Ibrahim
Format: Article
Language:English
Published: Nature Portfolio 2024-09-01
Subjects:
GQDs
Glycine
TDM
HOMO/LUMO and MESP
Online Access:https://doi.org/10.1038/s41598-024-71655-1

Internet

https://doi.org/10.1038/s41598-024-71655-1

Similar Items