Computational and experimental evidence of Pd supported P-doped porous graphitic carbon nitride as a highly efficient and exceptionally durable photocatalyst for boosted visible-light-driven benzyl alcohol oxidation

• Published in: The Journal of physics and chemistry of solids Vol. 152; p. 109985
• Main Authors: Bagherzade, Azra, Nemati, Firouzeh, Nahzomi, Hossein Taherpour
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.05.2021
• Subjects: Benzyl alcohol; Density functional theory; Graphitic carbon nitride; Periodic boundary condition; Photo-oxidation reaction; Quantum espresso; Periodic boundary condition; Density functional theory; Benzyl alcohol; Quantum espresso; Photo-oxidation reaction; Graphitic carbon nitride
• ISSN: 0022-3697; 1879-2553
• DOI: 10.1016/j.jpcs.2021.109985

Here, we present the low cost and environmentally friendly photocatalyst, P-doped porous g-C3N4/Pd (P-pCN/Pd) for the first time. The designed photocatalyst was fabricated successfully via thermal copolymerization of melamine in the presence of H3PO4 as a phosphorous source. In pursuance of comparison, a series of photocatalysts including bulk g-C3N4, g-C3N4 nanosheets, porous g-C3N4, N-doped porous g-C3N4, S-doped porous g-C3N4, P-doped porous g-C3N4, P-doped porous g-C3N4/Ag, P-doped porous g-C3N4/Cu, and P-doped porous g-C3N4/Pd were synthesized. Also, as a result of the calculation, it has appeared that the presence of Pd nanoparticles significantly makes the band gap narrower, facilitates the electron transfer, and increases the catalyst efficiency. Developing photocatalysts for the oxidation of organic materials hold considerable promise for the generation of high-value-added products such as benzaldehyde under visible light irradiation. All materials were characterized physico-chemically and the efficiency of the synthesized photocatalysts was evaluated toward catalyzing benzyl alcohol oxidation to benzaldehyde derivatives. The experiments uncovered that P-doped porous g-C3N4/Pd exhibits significant visible light activity at room temperature. [Display omitted] •Pd NPs loaded on the P-doped Porous g-C3N4 promotes photo-oxidation of benzyl alcohol under irradiation of Blue LED•The efficient and affordable photo-catalyst provides a wide range of substrate applicability•Short reaction time as well as high yield with respect to the reported literature for the conversion of benzyl alcohol to benzaldehyde•Employing visible-light as a sustainable and clean energy resource, and H2O2 as a green oxidant•Durability potential of the prepared photo-catalyst