Piezocatalysis‐Enabled High‐Efficiency Hydrogen Evolution with Single‐Atom Platinum on MoS ₂ Nanoflowers

Abstract The advent of single‐atom catalysts (SACs) has revolutionized catalysis, delivering outstanding performance in diverse chemical reactions. This study introduces a novel piezoelectric catalytic system employing single‐atom platinum‐modified MoS 2 nanoflowers (NFs) for enhanced hydrogen evolution reactions (HER). High‐angle annular dark field scanning transmission electron microscopy (HAADF‐STEM) identifies single‐atom platinum as bright dots, while X‐ray absorption near edge structure (XANES) and extended X‐ray absorption fine structure (EXAFS) analyses verify its oxidation state and radial distance. Piezoresponse force microscopy (PFM) confirms increased piezoresponse amplitude due to structural asymmetry from platinum modification. Time‐resolved photoluminescence (TRPL) reveals an extended carrier lifetime of 5.7 ns, while the modified catalyst (SA‐Pt‐01, MoS 2 NFs with 1 wt.% Pt) achieves a fourfold increase in hydrogen production efficiency, reaching 2206.15 µmol·g −1 ·h −1 . Notably, SA‐Pt‐1 generates 7786.9 µmol·g −1 in 12 h, showcasing sustained performance. Electron paramagnetic resonance (EPR) detects stronger •OH radical signals, indicating increased reactive availability. Density functional theory (DFT) simulations show that single‐atom Pt incorporation enhances adsorption energy and reduces energy barriers for hydrogen production. These findings underscore the potential of single‐atom Pt‐modified MoS 2 NFs as efficient, sustainable catalysts for clean hydrogen energy applications.