High-Throughput Inkjet-Printing Synthesis and Screening of Multicomponent Metallic Oxides for Rapid Decontamination of Chemical Warfare Agent Simulants

Abstract

Multicomponent metallic oxides exhibit excellent adsorption properties and extensive reactivity toward hazardous chemicals, for which they can be potentially utilized as decontaminants. Understanding the structure–activity relationship between the structural composition of metal oxides and their degradation activity toward chemical warfare agents (CWAs) is crucial for designing new and efficient decontaminants. However, the bottleneck is that metal oxides tend to have low screening efficiency and a long research and development cycle. In this paper, DFT calculations are used to analyze the adsorption and activation capabilities of different metal sites toward typical CWAs, and metal element combinations with potentially high activity are screened out. Based on the computational results, inkjet printing-assisted synthesis with thin-layer chromatography techniques is innovatively applied to the rapid synthesis and screening of CeZrFeOx catalysts’ ternary system, achieving immediate analysis of the degradation activity of different components. Gas chromatography analysis is further employed to verify the reliability of the method. The prepared Ce1Zr0.95Fe0.88Ox achieved degradation rates of 99.9% for 2-chloroethyl ethyl sulfide within 12 h. This high-throughput platform has shortened the research and development cycle of decontamination materials by 98%, providing a reference example for the rapid screening and development of new decontamination materials.