On the analyses of graphene oxide/polypyrrole/zinc oxide nanocomposites

Abstract Graphene oxide/Polypyrrole/Zinc oxide GrO/PPy/ZnO nanocomposite was investigated for possible interaction with alanine using B3LYP/LANL2DZ model. Results indicated that GrO/PPy/ZnO exhibited notable electronic accessibility with a total dipole moment (TDM) of 5.62 Debye and HOMO-LUMO energy...

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Bibliographic Details
Published in:Scientific Reports
Main Authors: Asmaa Ibrahim, Hanan Elhaes, Nada A. Khaled, Medhat A. Ibrahim
Format: Article
Language:English
Published: Nature Portfolio 2025-10-01
Subjects:
Graphene oxide
Polypyrrole
ZnO
DFT and alanine
Online Access:https://doi.org/10.1038/s41598-025-20194-4

Internet

https://doi.org/10.1038/s41598-025-20194-4

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