The recent availability of shale gas has led to a renewed interest in C–H bond activation as the first step towards the synthesis of fuels and fine chemicals. Heterogeneous catalysts based on Ni and Pt can perform this chemistry, but deactivate easily due to coke formation. Cu-based catalysts are not practical due to high C–H activation barriers, but their weaker binding to adsorbates offers resilience to coking. Using Pt/Cu single-atom alloys (SAAs), we examine C–H activation in a number of systems including methyl groups, methane and butane using a combination of simulations, surface science and catalysis studies. We find that Pt/Cu SAAs activate C–H bonds more efficiently than Cu, are stable for days under realistic operating conditions, and avoid the problem of coking typically encountered with Pt. Pt/Cu SAAs therefore offer a new approach to coke-resistant C–H activation chemistry, with the added economic benefit that the precious metal is diluted at the atomic limit.

页岩气的最新可利用性引起了人们对CH键活化的新兴趣，这是迈向燃料和精细化学品合成的第一步。基于Ni和Pt的多相催化剂可以进行这种化学反应，但是由于形成焦炭而容易失活。铜基催化剂由于高的C–H活化势垒而不切实际，但是它们与被吸附物的结合较弱，可以为焦化提供弹性。使用Pt / Cu单原子合金（SAA），我们结合模拟，表面科学和催化研究，研究了在包括甲基，甲烷和丁烷在内的许多系统中的C–H活化。我们发现，Pt / Cu SAA比Cu更有效地活化C–H键，在实际操作条件下稳定几天，并且避免了Pt通常遇到的结焦问题。