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

The structural, morphological, and optical properties of Ag3PO4 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 Ag3PO4 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. Pieces of silver: The structural, morphological, and optical properties of Ag3PO4 microcrystals have been characterized by using a combination of theoretical calculations and experimental techniques. As depicted in the FEG‐SEM images of Ag3PO4 microcrystals and Wulff crystal representations, the sample is a combination of five morphologies, three of which are present in large quantities and may contribute more to photocatalytic activity.