Reactivity of metal clusters

Z Luo, AW Castleman Jr, SN Khanna - Chemical reviews, 2016 - ACS Publications
We summarize here the research advances on the reactivity of metal clusters. After a simple
introduction of apparatuses used for gas-phase cluster reactions, we focus on the reactivity …

Quantum mechanical studies of large metal, metal oxide, and metal chalcogenide nanoparticles and clusters

A Fernando, KLDM Weerawardene… - Chemical …, 2015 - ACS Publications
Metal, metal oxide, and metal chalcogenide materials have a wide variety of applications.
For example, many metal clusters and nanoparticles are used as catalysts for reactions …

Superatoms: electronic and geometric effects on reactivity

AC Reber, SN Khanna - Accounts of Chemical Research, 2017 - ACS Publications
Conspectus The relative role of electronic and geometric effects on the stability of clusters
has been a contentious topic for quite some time, with the focus on electronic structure …

Advances in cluster superatoms for a 3D periodic table of elements

Z Luo, S Lin - Coordination Chemistry Reviews, 2024 - Elsevier
Clusters that mimic elemental atoms in the periodic table are known as superatoms which
open up a new window to design functional materials and catalysts by atomic construction …

Spin Accommodation and Reactivity of Silver Clusters with Oxygen: The Enhanced Stability of Ag13

Z Luo, GU Gamboa, JC Smith, AC Reber… - Journal of the …, 2012 - ACS Publications
Spin accommodation is demonstrated to play a determining role in the reactivity of silver
cluster anions with oxygen. Odd-electron silver clusters are found to be especially reactive …

Hund's rule in superatoms with transition metal impurities

VM Medel, JU Reveles, SN Khanna… - Proceedings of the …, 2011 - National Acad Sciences
The quantum states in metal clusters bunch into supershells with associated orbitals having
shapes resembling those in atoms, giving rise to the concept that selected clusters could …

Thirteen-atom metal clusters for genetic materials

Y Jia, Z Luo - Coordination Chemistry Reviews, 2019 - Elsevier
The stability of metal clusters is often associated with relatively low energy, highly symmetric
structure, electronic shell closure and chemical reaction inertness, which is tunable by …

Probing the magic numbers of aluminum–magnesium cluster anions and their reactivity toward oxygen

Z Luo, CJ Grover, AC Reber, SN Khanna… - Journal of the …, 2013 - ACS Publications
We report a joint experimental and theoretical investigation into the geometry, stability, and
reactivity with oxygen of alloy metal clusters Al n Mg m–(4≤ n+ m≤ 15; 0≤ m≤ 3) …

Ab initio search for global minimum structures of pure and boron doped silver clusters

Y Jin, Y Tian, X Kuang, C Zhang, C Lu… - The Journal of …, 2015 - ACS Publications
The global minimum structures of pure and boron doped silver clusters up to 16 atoms are
determined through ab initio calculations and unbiased structure searching methods. The …

What determines if a ligand activates or passivates a superatom cluster?

Z Luo, AC Reber, M Jia, WH Blades, SN Khanna… - Chemical …, 2016 - pubs.rsc.org
Quantum confinement in small metal clusters leads to a bunching of states into electronic
shells reminiscent of shells in atoms, enabling the classification of clusters as superatoms …