Strain-Assisted Single Pt Sites on High-Curvature MoS ₂ Surface for Ultrasensitive H ₂ S Sensing

Abstract

Engineering the local three-dimensional structure of metal sites has important effect to maximize the activity and selectivity of single-atom site catalysts. Here, we engineer a strain-assisted single Pt sites structure on highly curved MoS 2 surface to enhance the H 2 S sensor property. Through introducing N-methyl-2-pyrrolidone (NMP) as guiding molecules, a multilayer MoS 2 structure with bending base planes is achieved. This bending behavior can not only inject uniform in-plane strain into the original inert MoS 2 basal plane but also introduce sufficient accessible sites to anchor Pt monomers. Further experimental and theoretical results show that the high-curvature MoS 2 surface endows 0.8% stretch strain onto the low-coordinated single Pt sites with a unique "tip" effect, which will lead to more accumulation of electrons around the Pt species, thus accelerating the electric transfer process between H 2 S and supports. The final catalyst delivers the pronouncedly enhanced H 2 S

Review of Theoretical and Computational Studies of Bulk and Single Atom Catalysts for H2S Catalytic Conversion

“…The adsorption method has also been used for gas sensor applications and one way of improving the absorption of H 2 S can be done by doped metal atoms or constructing surface defects on catalyst surfaces. Using DFT calculations, Xue et al [49] studied molecular H 2 S adsorption on MoS 2 surface with a single doped Pt atom and found that the Pt-doped MoS 2 surface greatly facilitated the adsorption of H 2 S, which can severe an excellent gas sensor for detection the amount of H 2 S in different gas environments. Xu et al [50] computed the molecular H 2 S adsorption on both pure and g-C 3 N 4 surfaces with the doped Mo atom, and found that doped Mo atom can significantly promote the adsorption of H 2 S with adsorption energy (À 1.852 eV) compared on pure g-C 3 N 4 surface (À 0.398 eV).…”

“…The adsorption method has also been used for gas sensor applications and one way of improving the absorption of H 2 S can be done by doped metal atoms or constructing surface defects on catalyst surfaces. Using DFT calculations, Xue et al [49] . studied molecular H 2 S adsorption on MoS 2 surface with a single doped Pt atom and found that the Pt‐doped MoS 2 surface greatly facilitated the adsorption of H 2 S, which can severe an excellent gas sensor for detection the amount of H 2 S in different gas environments.…”

Preparation of single atom catalysts for high sensitive gas sensing

“…The Pt anchored CCO steadily promotes the response characteristics to H 2 S, exhibiting an improved response to H 2 S of 10 ppm-1 250 ppm at a low temperature of 100 • C, which is 35 times higher than that of pure CCO (figures 12(d) and (e)). Furthermore, Reproduced from [192]. CC BY 4.0. figure 12(f) compares the sensing performance of Pt(SA)/CCO based sensor and other chemiresistors for H 2 S detection, in which the former shows high response and high selectivity at a relatively low operating temperature.…”

Single-atom catalysts: promotors of highly sensitive and selective sensors

“…13c). 138 A multilayer MoS 2 structure with bending base planes (0.8% stretch strain) was achieved by using N-methyl-2-pyrrolidone as a guiding molecule. Such a curved MoS 2 surface confers a unique ''tip'' effect to the low-coordinated Pt SAs, resulting in more electron accumulation around the Pt species and thus accelerating the electrical transfer between H 2 S and MoS 2 supports (Fig.…”