Single-Walled Cluster Nanotubes for Single-Atom Catalysts with Precise Structures

Spatially confining isolated atomic sites in low-dimensional nanostructures is a promising strategy for preparing high-performance single-atom catalysts (SACs). Herein, fascinating polyoxometalate cluster-based single-walled nanotubes (POM-SWNTs) with atomically precise structures, uniform diameter, and single-cluster wall thickness are constructed by lacunary POM clusters (PW 11 and P 2 W 17 clusters). Isolated metal centers are accurately incorporated into the PW 11 -SWNTs and P 2 W 17 -SWNTs supports. The structures of the resulting MPW 11 -SWNTs and MP 2 W 17 -SWNTs are well established (M = Cu, Pt). Molecular dynamics simulations demonstrate the stability of POM-SWNTs. Furthermore, the turnover frequency of PtP 2 W 17 -SWNTs is 20 times higher than that of PtP 2 W 17 cluster units and 140 times higher than that of Pt nanoparticles in the alcoholysis of dimethylphenylsilane. Theoretical studies indicate that incorporating a Pt atom into the P 2 W 17 support induces straightforward electron transfer between them, combining the nanoconfined environment to enhance the catalytic activity of PtP 2 W 17 -SWNTs. This work shows the feasibility of using subnanometric POM clusters to assemble single-walled cluster nanotubes, highlighting their potential to prepare superior SACs with precise structures.