An Experimental and Computational Study of β‑AgVO₃: Optical Properties and Formation of Ag Nanoparticles

This article aims to gather together in one place and for first time the formation process of Ag nanoparticles (NPs) on β-AgVO₃ crystals, driven by an accelerated electron beam from an electronic microscope under high vacuum. Synthesis and optical properties of β-AgVO₃ are reported, and the relationship between structural disorder and photoluminescence emissions is discussed. First principle calculations, within a QTAIM framework, have been carried out to provide a deeper insight and understanding of the observed nucleation and early evolution of Ag nanoparticles (NPs) on β-AgVO₃ crystals. The Ag nucleation and formation is a result of structural and electronic changes of the [AgO₅] and [AgO₆] clusters, consistent with Ag metallic formation.