Atomic-scale strain engineering of atomically resolved Pt clusters transcending natural enzymes.

ABSTRACT: Strain engineering plays an important role in tuning electronic structure and improving catalytic capability of biocatalyst, but it is still challenging to modify the atomic-scale strain for specific enzyme-like reactions. Here, we systematically design Pt single atom (Pt₁), several Pt atoms (Pt_n) and atomically-resolved Pt clusters (Ptc) on PdAu biocatalysts to investigate the correlation between atomic strain and enzyme-like catalytic activity by experimental technology and in-depth Density Functional Theory calculations. It is found that Ptc on PdAu (Ptc-PA) with reasonable atomic strain upshifts the d-band center and exposes high potential surface, indicating the sufficient active sites to achieve superior biocatalytic performances. Besides, the Pd shell and Au co

SUBMITTER: Chen K 

PROVIDER: S-EPMC11436958 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature