α-Ag 2 WO 4 has attracted much attention in recent years due to its unique crystal and electronic structures, which are suitable for a wide range of applications. This work presents a more realistic study, based on first-principles calculations and experimental results, of the potential of α-Ag 2 WO 4 for antibacterial and photocatalytic activity. α-Ag 2 WO 4 material has been successfully synthesized by a coprecipitation method and subjected to microwave irradiation for different times. The as-synthesized microcrystals were structurally characterized by X-ray diffraction, while the morphological aspects were investigated by field emission scanning electron microscopy. The experimental studies and theoretical simulations of α-Ag 2 WO 4 , based on density functional theory calculations, have highlighted several key parameters (surface-dependent) that determine the antibacterial (against Staphylococcus aureus ) and photocatalytic activity (for the degradation of Rhodamine B), and provided some general principles for materials design. We believe that our results offer new insights regarding the local coordination of superficial Ag and W cations (i.e. clusters) on each exposed surface of the corresponding morphology, that dictate the antibacterial and photocatalytic activities of α-Ag 2 WO 4 , a field that has so far remained unexplored. Response to Reviewers:Manuscript ID: TCAC-D-20-00072 Response to reviewersWe acknowledge the Reviewers for their help in improving our manuscript. As can be seen in the revised text, these comments, remarks and suggestions were considered during our revision. Detailed responses, point-by-point, to the reviewers are summarized below and the changes were made along the revised version of the manuscript and were highlighted in red color.

In this study, we report the potential of ethylenediamine (En) in the modification of the morphological, structural, optical and catalytic properties of α-Ag2WO4 crystals decorated with Ag nanoparticles (Ag NP)....

No abstract

No abstract