Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects

F Baletto, R Ferrando - Reviews of modern physics, 2005 - APS
The structural properties of free nanoclusters are reviewed. Special attention is paid to the
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …

Water cluster confinement and methane adsorption in the hydrophobic cavities of a fluorinated metal–organic framework

N Nijem, P Canepa, U Kaipa, K Tan… - Journal of the …, 2013 - ACS Publications
Water cluster formation and methane adsorption within a hydrophobic porous metal organic
framework is studied by in situ vibrational spectroscopy, adsorption isotherms, and first …

Extremely Stable Metal-Encapsulated and Clusters: <?format ?>Mass-Spectrometric Discovery and Density Functional Theory Study

S Neukermans, E Janssens, ZF Chen, RE Silverans… - Physical review …, 2004 - APS
We report the experimental discovery of extremely stable metal-encapsulated superatom
clusters of a group IVA element: AlPb 10+ and AlPb 12+. Ab initio density functional …

Pb122-:  Plumbaspherene

LF Cui, X Huang, LM Wang, J Li… - The Journal of Physical …, 2006 - ACS Publications
Although Si or Ge is not known to form empty cage clusters such as the fullerenes, we
recently found a unique 12-atom icosahedral tin cluster, Sn122-(stannaspherene). Here we …

Stable icosahedral hollow cage clusters: stannaspherene () and plumbaspherene ()

LF Cui, LS Wang - International Reviews in Physical Chemistry, 2008 - Taylor & Francis
One of the major objectives of cluster science is to discover stable atomic clusters, which
may be used as building blocks for cluster-assembled nanomaterials. The discovery and …

A database of low-energy atomically precise nanoclusters

S Manna, Y Wang, A Hernandez, P Lile, S Liu… - Scientific Data, 2023 - nature.com
The chemical and structural properties of atomically precise nanoclusters are of great
interest in numerous applications, but the structures of the clusters can be computationally …

Atomic structures and covalent-to-metallic transition of lead clusters

B Wang, J Zhao, X Chen, D Shi, G Wang - Physical Review A—Atomic …, 2005 - APS
The lowest-energy structures and electronic properties of the lead clusters are studied by
density-functional-theory calculations with Becke-Lee-Yang-Parr gradient correction. The …

Coalescence of nanoscale metal clusters: Molecular-dynamics study

S Hendy, SA Brown, M Hyslop - Physical Review B, 2003 - APS
We study the coalescence of nanoscale metal clusters in an inert-gas atmosphere using
constant-energy molecular dynamics. The coalescence proceeds via atomic diffusion with …

The structure and stability of β-Ta thin films

A Jiang, TA Tyson, L Axe, L Gladczuk, M Sosnowski… - Thin solid films, 2005 - Elsevier
Ta films with tetragonal crystalline structure (β-phase), deposited by magnetron sputtering
on different substrates (steel, silicon, and silicon dioxide), have been studied. In all cases …

Identifying structural patterns in disordered metal clusters

JPK Doye - Physical Review B, 2003 - APS
Zinc and cadmium clusters interacting with a Gupta potential have previously been identified
as prototypical metallic systems that exhibit disordered cluster structures. Here, putative …