Photoluminescence and Photocatalytic Properties of Ag₃PO₄ Microcrystals: An Experimental and Theoretical Investigation

Abstract

Abstract The structural, morphological, and optical properties of Ag 3 PO 4 microcrystals were systematically characterized by using a combination of theoretical calculations and experimental techniques. These microcrystals were synthesized by the microwave‐assisted hydrothermal (MAH) method. XRD, Rietveld refinements, and FTIR spectroscopy were employed to carry out a structural analysis; the morphologies of the microcrystals were examined by FEG‐SEM. First‐principles computational studies were used to calculate the geometries of bulk Ag 3 PO 4 and its (010), (100), (001), (110), (101), (011), and (111) surfaces. A continuous decrease in the energy of the (100) surface led to a good agreement between the experimental and theoretical morphologies. Optical properties were investigated by UV/Vis spectroscopy and photoluminescence (PL) measurements, which revealed a maximum PL emission at λ =444 nm. The MAH‐synthesized sample exhibited good activity for the photocatalytic degradation of methyl orange dye under visible irradiation. The photocatalytic activity and PL behavior were correlated with the observed morphology.