Chemistry Journal of Moldova

INSIGHTS ON METAL DOPED GRAPHENE IN THE ADSORPTION OF ARSENIC VIA DFT CALCULATION

Author(s):

Ibraheem Olusola Ayeni and Toyese Oyegoke


Field: Physical chemistry and chemical physics
Type: Research paper
Pages:
Keywords:

adsorption, modelling, density functional theory, 2D material, metal doping effect, graphene, molecular simulation.


 
https://doi.org/10.19261/cjm.2025.1264
 
Abstract (PDF)
Graphycal Abstract: The impact of doping graphene with metals like Cu, Al, and Mn on its adsorption strength for arsenic (As) was computationally explored for industrial wastewater treatment. The results show that doped graphene outperforms undoped graphene, suggesting that doping can enhance the adsorptive properties of graphene for As removal.