Recent developments allow heat capacities to be measured for size-selected clusters
isolated in the gas phase. For clusters with tens to hundreds of atoms, the heat capacities …

An atom-level ab initio understanding of the structural, energetic, and electronic properties of
nanoclusters with diameter size from 1 to 2 nm figures as a prerequisite to foster their …

The oxidative dehydrogenation of cyclohexane by cobalt oxide nanoparticles was studied
via temperature programmed reaction combined with in situ grazing incidence X-ray …

Covering the key theories, tools, and techniques of this dynamic field, Handbook of
Nanophysics: Principles and Methods elucidates the general theoretical principles and …

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 …

The structure, composition, and atomic distribution of nanoalloys under operating conditions
are of significant importance for their catalytic activity. In the present work, we use ab initio …

The meltinglike transition of the Cu 1 Au 54 and Cu 12 Au 43 clusters is investigated by
canonical Monte Carlo simulations, based on the second-moment approximation of the tight …

Structural optimization of ternary Cu–Ag–Au nanoalloys with 38 and 55 atoms was
performed using the basin-hopping algorithm and the Gupta many-body potential was …

The present work demonstrates the use of computationally inexpensive neural network (NN)
potential for studying global optimizations and phase transitions in small to medium sized …

Recent experimental reports bring out extreme size sensitivity in the heat capacities of
gallium and aluminum clusters. In the present work we report results of our extensive ab …