High-Yield WS 2 Synthesis through Sulfurization in Custom-Modified Atmospheric Pressure Chemical Vapor Deposition Reactor, Paving the Way for Selective NH 3 Vapor Detection.

Nanostructured transition metal dichalcogenides have garnered significant research interest for physical and chemical sensing applications due to their unique crystal structure and large effective surface area. However, the high-yield synthesis of these materials on different substrates and in nanostructured films remains a challenge that hinders their real-world applications. In this work, we demonstrate the synthesis of two-dimensional (2D) tungsten disulfide (WS 2 ) sheets on a hundred-milligram scale by sulfurization of tungsten trioxide (WO 3 ) powder in an atmospheric pressure chemical vapor deposition reactor. The as-synthesized WS 2 powders can be formulated into inks and deposited on a broad range of substrates using techniques like screen or inkjet printing, spin-coating, drop-casting, or airbrushing. Structural, morphological, and chemical composition analysis confirm the successful synthesis of edge-enriched WS 2 sheets. The sensing performance of the WS 2 films prepared with the synthesized 2D material was evaluated for ammonia (NH 3 ) detection at different operating temperatures. The results reveal exceptional gas sensing responses, with the sensors showing a 100% response toward 5 ppm of NH 3 at 150 °C. The sensor detection limit was experimentally verified to be below 1 ppm of NH 3 at 150 °C. Selectivity tests demonstrated the high selectivity of the edge-enriched WS 2 films toward NH 3 in the presence of interfering gases like CO, benzene, H 2, and NO 2 . Furthermore, the sensors displayed remarkable stability against high levels of humidity, with only a slight decrease in response from 100% in dry air to 93% in humid environments. Density functional theory and Bayesian optimization simulations were performed, and the theoretical results agree with the experimental findings, revealing that the interaction between gas molecules and WS 2 is primarily based on physisorption.