Improving Catalytic Performance via the Synergy of Tensile Lattice Strain and Plasmonic Enhancement in Defective AuPd@Pd Short Nanowires

The synthesis of bimetallic nanocatalysts with strained crystal lattices has attracted considerable interest. This is because, beyond the electronic structure modifications realized through elemental doping, the strain effect offers an extra mechanism to fine-tune the electronic structures, thereby possibly improving the catalytic performances. We present a method for constructing defective AuPd@Pd short nanowires, achieved through a controlled galvanic replacement reaction between short AuCu nanowires and Pd precursors. Advanced structural analyses using spherical aberration-corrected transmission electron microscopy (AC-TEM) validated the expanded crystal lattice on the nanowire surface and also demonstrated pronounced plasmonic absorption in the UV-vis region. Leveraging both plasmonic absorption and strain effects, the AuPd@Pd short nanowires displayed a higher apparent rate constant compared to Pd nanoparticles. Integrating molecular dynamic simulations with density functional theory calculations revealed that the tensile strain on AuPd@Pd short nanowires benefited the catalytic activity by elevating the d-band center, thereby intensifying the adsorption of <i>p</i>-nitrophenol. The current research introduces a unique method for synthesizing noble metal nanocrystals with specific dimensions and elucidates the rational development of high-performance plasmonic nanocatalysts through synergistic exploitation of the beneficial strain effect.