Gold (Au) as co-catalyst is remarkable for activating methane (CH₄), especially atomically dispersed Au with maximized exposing active sites and specific electronic structure. Furthermore, singlet oxygen (¹O₂) typically manifests a mild redox capacity with a high selectivity to attack organic substrates. Peroxomonosulfate (PMS) favors to produce oxidative species ¹O₂ during the photocatalytic reactions. Thus, combining atomic Au as co-catalyst and ¹O₂ as oxidant is an effective strategy to selectively convert CH₄. Herein, we synthesized atomically dispersed Au on WO₃ (Au/WO₃), where Au was in the forms of single atoms and clusters. At room temperature, such Au/WO₃ exhibited enhanced photocatalytic conversion of CH₄ to CH₃CH₃ with a selectivity, up to 94%, under visible light. The radicals-pathway mechanism of CH₄ coupling has also been investigated through detection and trapping experiment of active species. Theoretical calculations further interpret the electronic structure of Au/WO₃ and tip-enhanced local electric field at the Au sites for promoting CH₄ conversion.

金（Au）作为助催化剂对于活化甲烷（CH ₄）尤其有效，尤其是原子分散的Au，具有最大程度的暴露活性位点和特定的电子结构。此外，单线态氧（¹ O ₂）通常表现出中等的氧化还原能力，对有机底物具有高选择性。过氧单硫酸盐（PMS）有助于在光催化反应过程中产生氧化性物种¹ O ₂。因此，结合原子Au作为助催化剂和¹ O ₂作为氧化剂是选择性转化CH ₄的有效策略。在这里，我们在WO ₃（Au / WO ₃），其中Au是单原子和簇的形式。在室温下，这种Au / WO ₃在可见光下显示出CH ₄向CH ₃ CH _3的光催化转化增强，选择性高达94％。通过检测和捕获活性物种，还研究了CH ₄偶联的自由基途径。理论计算进一步解释了Au / WO ₃的电子结构以及Au位置处尖端增强的局部电场，以促进CH ₄转化。