The electronic structure and geometric structure of nanoclusters as catalytic active sites

In the past few decades, metal nanoparticles applied in heterogeneous catalysis have attracted extensive attention. The term nanocatalysis is broadly referred to as the unique catalytic effect of this series of materials. Although considerable progress has been made in nanocatalysis, it still remains a great challenge to fully understand the nature of active sites in the nanoscale. Many concepts and models have been put forwarded to describe the properties and performances of nano- and subnanoparticles in catalysis. In this review, we propose our perspective on the active sites of heterogeneous catalysis from the aspects of electronic structure and geometric structure of nanoclusters and consider briefly how these clusters function in catalysis. The challenge in nanocatalysis research methods is also discussed.