Enhanced photocatalytic performance of V2O5 NRs/RGO nanocomposites for Rhodamine-B decolorization under solar irradiation
Experimental and theoretical study
Issam Boukhoubza (University Sidi Mohammed Ben Abdellah, National Institute of Materials Physics)
Mohamed Achehboune (University of Namur, Mohammed VI Polytechnic University)
Outman El Khouja (National Institute of Materials Physics)
Mohamed A. Basyooni-M.Kabatas (TU Delft - Dynamics of Micro and Nano Systems, Selçuk University)
Melania Mindroc (National Institute of Materials Physics)
Issam Derkaoui (University Sidi Mohammed Ben Abdellah)
Monica Enculescu (National Institute of Materials Physics)
Elena Matei (National Institute of Materials Physics)
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Abstract
In the present work, an essential advance in the preparation of novel nanocomposites based on functionalized V2O5 nanostructures with reduced graphene oxide by hydrothermal method, which has great potential for use in photocatalytic processes related to environmental remediation. XRD analysis confirmed V2O5 in an orthorhombic structure. SEM images showed transparent RGO layers well anchored onto the surface of the V2O5 with a homogeneous distribution. Raman spectroscopy further explained the hybridization and interaction between the components. The photocatalytic activity of Rhodamine-B in aqueous solutions has been studied upon irradiation with visible light. A high RhB degradation was obtained using the V2O5/RGO photocatalyst (82 %), compared to the degradation obtained with only V2O5 (60 %). First-principles Density Functional Theory (DFT) simulations reveal a strong interaction between V2O5 molecules and graphene surfaces, with an adsorption energy of −1.673 eV and a significant charge transfer of 0.367 e− to RGO. This interaction modifies the electronic structure, creating semi-metallic behavior near the Fermi level and enhancing catalytic activity through improved charge carrier dynamics and active sites for photocatalytic applications.