Visible light-driven photocatalytic bacterial inactivation on PPE, supported by the DFT and bactericidal study

Gulzar Ahmed; Adeel Rasheed; Khurram Shahzad Munawar; Satesh Bandaru; Javid Khan; Zhongwu Liu; Muhammad Sheraz Ahmad

doi:10.1007/s11356-023-27867-5

Visible light-driven photocatalytic bacterial inactivation on PPE, supported by the DFT and bactericidal study

Environ Sci Pollut Res Int. 2023 Jul;30(32):78692-78706. doi: 10.1007/s11356-023-27867-5. Epub 2023 Jun 5.

Authors

Gulzar Ahmed¹, Adeel Rasheed², Khurram Shahzad Munawar³, Satesh Bandaru⁴, Javid Khan⁵, Zhongwu Liu⁶, Muhammad Sheraz Ahmad⁷

Affiliations

¹ School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510640, China. gulzar.ahmed@uos.edu.pk.
² Department of Physics, University of Mianwali, Mianwali, 42200, Pakistan.
³ Institute of Chemistry, University of Sargodha, Sargodha, 40100, Pakistan.
⁴ College of Material Science and Environmental Engineering, Hangzhou Dianzi University, Hangzhou, 310018, China.
⁵ College of Material Science and Engineering, Hunan University, Changsha, 410082, China.
⁶ School of Materials Science and Engineering, South China University of Technology, Guangzhou, 510640, China.
⁷ Center for Environmental Sustainability and Human Health, Ming Chi University of Technology, New Taipei City, 24301, Taiwan.

Abstract

A novel ZnO-MoO₃-ZnMoO₃@graphene GZM composite catalyst prepared by microwave hydrothermal process for personal protective equipment textiles (PPE) is presented in this study. The results indicated that the GZM with defect vacancy sites of two types as observed by EPR showed significantly superior inactivation of the E. coli bacteria compared to GZM without the lower defect vacancy sites and concomitant lower electron densities. Photocatalytic activated oxidation by the GZM composites coatings was observed to proceed in acceptable times as well as the bacterial inactivation (log bact. C/C_o > 10⁷ within 3 h). Defect sites in the GZM seem to be important leading to the bacterial inactivation process. DFT calculations on the GZM with and without catalyst defect sites were carried out. The electron densities were estimated by the Fourier mapping. The results found in this study showed the potential of GZM-PPE for practical applications.

Keywords: Bacteria inactivation; Electron density calculations; Fourier mapping; Heterogeneous catalysis; PPE; Photocatalysis.

MeSH terms

Catalysis
Escherichia coli*
Light*
Oxidation-Reduction

Abstract

MeSH terms

Grants and funding