Platinum\nSingle-Atom Nests Boost Solar-Driven Photocatalytic\nNon-Oxidative Coupling of Methane to Ethane

This\nwork introduces a new strategy of a single-atom nest catalyst,\nwhereby several single atoms are positioned closely, aiming to achieve\nthe dual benefits of high atom-utilization efficiency while avoiding\nthe steric hindrance in the coupling reaction. As a proof of concept,\nPt single-atom nests, where the adjacent Pt single atoms are approximately\n4 Å apart, are precisely engineered on the TiO<sub>2</sub> photocatalyst\nfor photocatalytic non-oxidative coupling of methane. The Pt single-atom\nnest photocatalyst demonstrates remarkable activity, achieving a C<sub>2</sub>H<sub>6</sub> yield and turnover frequency of 251.6 μmol\ng<sub>cat</sub><sup>–1</sup> h<sup>–1</sup> and 20 h<sup>–1</sup>, respectively, representing a 3.2-fold improvement\ncompared to the Pt single-atom photocatalyst. Density functional theory\ncalculations reveal that the Pt single-atom nest can significantly\ndecrease the energy barrier for the activation of both CH<sub>4</sub> molecules in the coupling process.