Endohedrally doped cage clusters

J Zhao, Q Du, S Zhou, V Kumar - Chemical Reviews, 2020 - ACS Publications
The discovery of carbon fullerene cages and their solids opened a new avenue to build
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …

Two-dimensional boron: structures, properties and applications

Z Zhang, ES Penev, BI Yakobson - Chemical Society Reviews, 2017 - pubs.rsc.org
Situated between metals and non-metals in the periodic table, boron is one of the most
chemically versatile elements, forming at least sixteen bulk polymorphs composed of …

Probing the structures and bonding of size-selected boron and doped-boron clusters

T Jian, X Chen, SD Li, AI Boldyrev, J Li… - Chemical Society …, 2019 - pubs.rsc.org
Because of their interesting structures and bonding and potentials as motifs for new
nanomaterials, size-selected boron clusters have received tremendous interest in recent …

Structural transformations in boron clusters induced by metal do**

J Barroso, S Pan, G Merino - Chemical Society Reviews, 2022 - pubs.rsc.org
In the last decades, experimental techniques in conjunction with theoretical analyses have
revealed the surprising structural diversity of boron clusters. Although the 2D to 3D transition …

Photoelectron spectroscopy of size-selected boron clusters: from planar structures to borophenes and borospherenes

LS Wang - International Reviews in Physical Chemistry, 2016 - Taylor & Francis
Photoelectron spectroscopy (PES) in combination with computational chemistry has been
used systematically over the past decade to elucidate the structures and chemical bonding …

From planar boron clusters to borophenes and metalloborophenes

WL Li, X Chen, T Jian, TT Chen, J Li… - Nature Reviews …, 2017 - nature.com
Elemental boron and its compounds exhibit unusual structures and chemical bonding owing
to the electron deficiency of boron. Joint photoelectron spectroscopy and theoretical studies …

[HTML][HTML] Observation and characterization of the smallest borospherene, B28− and B28

YJ Wang, YF Zhao, WL Li, T Jian, Q Chen… - The Journal of …, 2016 - pubs.aip.org
Free-standing boron nanocages or borospherenes have been observed recently for B 40−
and B 40. There is evidence that a family of borospherenes may exist. However, the smallest …

B 48−: a bilayer boron cluster

WJ Chen, YY Ma, TT Chen, MZ Ao, DF Yuan, Q Chen… - Nanoscale, 2021 - pubs.rsc.org
Size-selected negatively-charged boron clusters (Bn−) have been found to be planar or
quasi-planar in a wide size range. Even though cage structures emerged as the global …

Accelerating CALYPSO structure prediction by data-driven learning of a potential energy surface

Q Tong, L Xue, J Lv, Y Wang, Y Ma - Faraday discussions, 2018 - pubs.rsc.org
Ab initio structure prediction methods have been nowadays widely used as powerful tools
for structure searches and materials discovery. However, they are generally restricted to …

Comprehensive genetic algorithm for ab initio global optimisation of clusters

J Zhao, R Shi, L Sai, X Huang, Y Su - Molecular Simulation, 2016 - Taylor & Francis
Cluster, as the aggregate of a few to thousands of atoms or molecules, bridges the
microscopic world of atoms and molecules and the macroscopic world of condensed …