The dome of gold nanolized for catalysis.

ABSTRACT: Gold is noble in bulk but turns out to be a superior catalyst at the nanoscale when supported on oxides, in particular titania. The critical thickness for activity, namely two-layer gold particles on titania, observed two decades ago represents one of the most influential mysteries in the recent history of heterogeneous catalysis. By developing a Bayesian optimization controlled global potential energy surface exploration tool with machine learning potential, here we determine the atomic structures of gold particles within ∼2 nm on a TiO₂ surface. We show that the smallest stable Au nanoparticle is Au₂₄ which is pinned on the oxygen-rich TiO₂ and exhibits an unprecedented dome architecture made by a single-layer Au sheet but with an apparent two-atomic-laye

SUBMITTER: Peng Y 

PROVIDER: S-EPMC8179636 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature