Heterogeneous single-cluster catalysts (SCCs) comprising atomically precise and isolated
metal clusters stabilized on appropriately chosen supports offer exciting prospects for …

The unprecedented ability of computations to probe atomic-level details of catalytic systems
holds immense promise for the fundamentals-based bottom-up design of novel …

Different from isolated metal atoms and large metal nanoparticles (NPs), supported metal
clusters (SMCs) possess distinct geometric and electronic structures and thus exhibit …

Improving the knowledge of the relationship between structure and properties is
fundamental in catalysis. Recently, researchers have developed a variety of well-controlled …

Metal species with different size (single atoms, nanoclusters, and nanoparticles) show
different catalytic behavior for various heterogeneous catalytic reactions. It has been shown …

Supported atomic clusters with uniform metal sites and definite low-nuclearity are
intermediate states between single-atom catalysts (SACs) and nanoparticles in size …

Metal nanoparticle (NP), cluster and isolated metal atom (or single atom, SA) exhibit different
catalytic performance in heterogeneous catalysis originating from their distinct …

In the past several decades, light alkane dehydrogenation to mono-olefins, especially
propane dehydrogenation to propylene has gained widespread attention and much …

Alkanes are the foremost basic energy sources and represent an important basic chemical
material for industrial applications. Highly efficient activation of C–H bonds can convert …

First-principles-based multiscale models are ever more successful in addressing the wide
range of length and time scales over which material–function relationships evolve in …