Global optimization of chemical cluster structures: Methods, applications, and challenges

J Zhang, VA Glezakou - International Journal of Quantum …, 2021 - Wiley Online Library
Chemical clusters are relevant to many applications in catalysis, separations, materials, and
energy sciences. Experimentally, the structure of clusters is difficult to determine, but it is …

Slow photoelectron velocity-map imaging of cryogenically cooled anions

ML Weichman, DM Neumark - Annual review of physical …, 2018 - annualreviews.org
Slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled anions (cryo-
SEVI) is a powerful technique for elucidating the vibrational and electronic structure of …

Evolution of the Structural and Electronic Properties of Medium-Sized Sodium Clusters: A Honeycomb-Like Na20 Cluster

WG Sun, JJ Wang, C Lu, XX ** on the growth behavior and the electronic properties of aluminum
clusters has been investigated theoretically using the CALYPSO (Crystal structure AnaLYsis …

Structural Evolution of Core–Shell Gold Nanoclusters: Aun (n = 42–50)

S Pande, W Huang, N Shao, LM Wang, N Khetrapal… - ACS …, 2016 - ACS Publications
Gold nanoclusters have attracted great attention in the past decade due to their remarkable
size-dependent electronic, optical, and catalytic properties. However, the structures of large …

How O2-Binding Affects Structural Evolution of Medium Even-Sized Gold Clusters Aun (n = 20–34)

NS Khetrapal, D Deibert, R Pal… - The Journal of …, 2021 - ACS Publications
We report the first joint anion photoelectron spectroscopy and theoretical study on how O2-
binding affects the structures of medium even-sized gold clusters, Au n–(n= 20–34), a …

Au60: The Smallest Gold Cluster with the High-Symmetry Icosahedral Core Au13

S Pande, X Gong, LS Wang… - The journal of physical …, 2019 - ACS Publications
Among coinage metal nanoclusters with 55 atoms, only Ag55–and Cu55–are the geometric
magic-number clusters, as both exhibit icosahedral symmetry. Au55–, however, exhibits …

Structural Evolution of Gold Clusters Aun (n = 21–25) Revisited

NS Khetrapal, SS Bulusu, XC Zeng - The Journal of Physical …, 2017 - ACS Publications
We performed a combined theoretical and experimental photoelectron spectroscopy study of
the structural evolution of gold anion clusters Au n–in the size range n= 21–25, a special …

Probing the Structural Evolution of Gold–Aluminum Bimetallic Clusters (Au2Aln, n = 3–11) Using Photoelectron Spectroscopy and Theoretical Calculations

NS Khetrapal, T Jian, GV Lopez, S Pande… - The Journal of …, 2017 - ACS Publications
We report a combined photoelectron spectroscopy and theoretical study of the structural
evolution of aluminum cluster anions doped with two gold atoms, Au2Al n–(n= 3–11). Well …