Subnanometric transition-metal (TM) clusters have attracted great attention due to their
unexpected physical and chemical properties, leastwise compared to their bulk …

Atomically precise copper nanoclusters (NCs) are of immense interest for a variety of
applications, but have remained elusive. Herein, we report the isolation of a copper …

The fullerenes are the first “free-standing” elemental hollow cages identified by spectroscopy
experiments and synthesized in the bulk. Here, we report experimental and theoretical …

In general, because of the high computational demand, most theoretical studies addressing
cationic and anionic clusters assume structural relaxation from the ground state neutral …

We performed a global-minimum search for low-lying neutral clusters (Au n) in the size
range of n= 15–19 by means of basin-hop** method coupled with density functional …

Using a genetic algorithm followed by local optimization with density functional theory, the
lowest-energy structures of Agn clusters in a size range of n= 3–22 were studied. The Agn …

Determining the atomic structure of clusters has been a long-term challenge in theoretical
calculations due to the high computational cost of density-functional theory (DFT). Deep …

The geometric and electronic structures of Na N⁠, Cu N⁠, and Ag N metal clusters are
systematically studied based on the density functional theory over a wide range of cluster …

Cu/CeO2 works as an effective heterogeneous catalyst for hydrogenation of dimethyl
carbonate to methanol at 433 K and even at low H2 pressure of 2.5 MPa, and it provided …

In this paper, Cu nanoparticles with narrow size distribution are synthesized by reduction of
CuO films produced by atomic layer deposition (ALD), which are used as catalysts for the …