Patching sulfur vacancies

Abstract

Transition metal dichalcogenides (TMDCs) garner significant attention for their potential to create high-performance gas sensors. Despite their favorable properties such as tunable bandgap, high carrier mobility, and large surface-to-volume ratio, the performance of TMDCs devices is compromised by sulfur vacancies, which reduce carrier mobility. To mitigate this issue, we propose a simple and universal approach for patching sulfur vacancies, wherein thiol groups are inserted to repair sulfur vacancies. The sulfur vacancy patching (SVP) approach is applied to fabricate a MoS₂-based gas sensor using mechanical exfoliation and all-dry transfer methods, and the resulting 4-nitrothiophenol (4NTP) repaired molybdenum disulfide (4NTP-MoS₂) is prepared via a sample solution process. Our results show that 4NTP-MoS₂ exhibits higher response (increased by 200 %) to ppb-level NO₂ with shorter response/recovery times (61/82 s) and better selectivity at 25 °C compared to pristine MoS₂. Notably, the limit of detection (LOD) toward NO₂ of 4NTP-MoS₂ is 10 ppb. Kelvin probe force microscopy (KPFM) and density functional theory (DFT) reveal that the improved gas sensing performance is mainly attributed to the 4NTP-induced n-doping effect on MoS₂ and the corresponding increment of surface absorption energy to NO₂. Additionally, our 4NTP-induced SVP approach is universal for enhancing gas sensing properties of other TMDCs, such as MoSe₂, WS₂, and WSe₂.