Selective C–H Activation Facilitated by the Cooperative Effect of Extrinsic O2 and Na on Ag(111)

作者：Zhaoyu Zhang, Rujia Hou, Chi Zhang, Wei Xu · 发表于：ACS Catalysis · 年份：2025 · DOI：10.1021/acscatal.5c04254 · 被引用次数：7 · 研究领域：Ammonia Synthesis and Nitrogen Reduction、Catalytic Processes in Materials Science、Advanced Photocatalysis Techniques

Carbon–hydrogen (C–H) bond activation is pivotal in chemistry. On-surface C–H activation reactions, generally identified as endothermic processes, have been extensively explored via the modification of molecule–substrate systems. In addition, extrinsic components (e.g., O 2 ) have been introduced to circumvent high energy barriers and steer reaction selectivity. Specifically, oxygen exhibits unique catalytic behavior in enabling C(sp)–H activation on Ag(111) in an exothermic way. However, the chemical inertness and low sticking probability of Ag(111) toward O 2 prohibit its efficient utilization on the pristine surface. In this study, through the combination of scanning tunneling microscopy (STM) imaging and density functional theory (DFT) calculations, we report an on-surface synthesis strategy for the efficient C(sp 2 )–H activation of pyridyl groups on Ag(111) via the cooperative effect of extrinsic O 2 and Na. The synergistic interplay between O 2 and Na has also been systematically elucidated. These results would be inspiring not only for harnessing the oxidative potential of O 2 in C–H activation processes but also for enriching the toolkit for on-surface synthesis.