Ribeiro, Lara K.Assis, MarceloLima, Lais R.Coelho, DyovaniGonçalves, Mariana O.Paiva, Robert S.Moraes, Leonardo N. [UNESP]Almeida, Lauana F. [UNESP]Lipsky, FelipeSan-Miguel, Miguel A.Mascaro, Lúcia H.Grotto, Rejane M. T. [UNESP]Sousa, Cristina P.Rosa, Ieda L. V.Cruz, Sandra A.Andrés, JuanLongo, Elson2022-04-282022-04-282021-01-01Journal of Physical Chemistry B.1520-52071520-6106http://hdl.handle.net/11449/222585The current unprecedented coronavirus pandemic (COVID-19) is increasingly demanding advanced materials and new technologies to protect us and inactivate SARS-CoV-2. In this research work, we report the manufacture of Ag3PO4 (AP)/polypropylene (PP) composites using a simple method and also reveal their long-term anti-SARS-CoV-2 activity. This composite shows superior antibacterial (against Staphylococcus aureus and Escherichia coli) and antifungal activity (against Candida albicans), thus having potential for a variety of technological applications. The as-manufactured materials were characterized by XRD, Raman spectroscopy, FTIR spectroscopy, AFM, UV-vis spectroscopy, rheology, SEM, and contact angle to confirm their structural integrity. Based on the results of first-principles calculations at the density functional level, a plausible reaction mechanism for the initial events associated with the generation of both hydroxyl radical •OH and superoxide radical anion •O2- in the most reactive (110) surface of AP was proposed. AP/PP composites proved to be an attractive avenue to provide human beings with a broad spectrum of biocide activity.engArtigo10.1021/acs.jpcb.1c052252-s2.0-85116573100