In Silico Guided Design of Metal/Semiconductor Photocatalysts: A Case of Cu-Modified TiO₂ for Ciprofloxacin Degradation.

ABSTRACT: (1) Background: An increasing use of pharmaceutics imposes a need for the permanent development of efficient strategies, including the tailoring of highly specific new materials for their removal from the environment. Photocatalytic degradation has been the subject of increasing interest of the researchers in the field. (2) Methods: This paper is focused on the investigation of the possibility to deposit a thin metal layer on a TiO₂ surface and study its photocatalytic performance for the degradation of ciprofloxacin using a combination of theoretical and experimental methods. (3) Results: Based on the extensive DFT screening of 24 d-metals' adhesion on TiO₂, Cu was selected for further work, due to the satisfactory expected stability and good availability. The (Cu)Ti

SUBMITTER: Kovacevic M 

PROVIDER: S-EPMC10456727 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature