Super atomic clusters: design rules and potential for building blocks of materials

P Jena, Q Sun - Chemical reviews, 2018 - ACS Publications
Atomic clusters, consisting of a few to a few thousand atoms, have emerged over the past 40
years as the ultimate nanoparticles, whose structure and properties can be controlled one …

Catalysis by clusters with precise numbers of atoms

EC Tyo, S Vajda - Nature nanotechnology, 2015 - nature.com
Clusters that contain only a small number of atoms can exhibit unique and often unexpected
properties. The clusters are of particular interest in catalysis because they can act as …

Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism

JO Richardson, C Pérez, S Lobsiger, AA Reid… - Science, 2016 - science.org
The nature of the intermolecular forces between water molecules is the same in small
hydrogen-bonded clusters as in the bulk. The rotational spectra of the clusters therefore give …

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 …

Quantum chemical investigations on molecular clusters

SR Gadre, SD Yeole, N Sahu - Chemical reviews, 2014 - ACS Publications
A cluster is an aggregate of bound atoms or molecules, intermediate in size between a
molecule and a bulk solid. Clusters of a variety of molecules are receiving increasing …

Magic polyicosahedral core-shell clusters

G Rossi, A Rapallo, C Mottet, A Fortunelli, F Baletto… - Physical review …, 2004 - APS
A new family of magic cluster structures is found by genetic global optimization, whose
results are confirmed by density functional calculations. These clusters are Ag-Ni and Ag-Cu …

Global optimization of bimetallic cluster structures. I. Size-mismatched Ag–Cu, Ag–Ni, and Au–Cu systems

A Rapallo, G Rossi, R Ferrando, A Fortunelli… - The Journal of …, 2005 - pubs.aip.org
A genetic algorithm approach is applied to the optimization of the potential energy of a wide
range of binary metallic nanoclusters, Ag–Cu, Ag–Ni, Au–Cu, Ag–Pd, Ag–Au, and Pd–Pt …

Nature and strength of M− S Bonds (M= Au, Ag, and Cu) in binary alloy gold clusters

AH Pakiari, Z Jamshidi - The Journal of Physical Chemistry A, 2010 - ACS Publications
The interactions of pure (Au k, Ag k, and Cu k; k= 1− 3) and binary alloy (Au n Ag m and Au n
Cu m; m+ n= k≤ 3) metal clusters with hydrogen sulfide (H2S) have been investigated by …

Metal nanoclusters: new paradigm in catalysis for water splitting, solar and chemical energy conversion

A Munir, KS Joya, T Ul Haq, NUA Babar… - …, 2019 - Wiley Online Library
A sustainable future demands innovative breakthroughs in science and technology today,
especially in the energy sector. Earth‐abundant resources can be explored and used to …

Quantum effects on the structure of pure and binary metallic nanoclusters

R Ferrando, A Fortunelli, G Rossi - Physical Review B—Condensed Matter and …, 2005 - APS
A family of high-symmetry bimetallic clusters—recently shown to give rise to “magic”
structures in the case of Ag-Cu and Ag-Ni nanoclusters—is investigated also in the case of …