Structural transformations in boron clusters induced by metal doping
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 …
revealed the surprising structural diversity of boron clusters. Although the 2D to 3D transition …
Probing the nature of the transition-metal-boron bonds and novel aromaticity in small metal-doped boron clusters using photoelectron spectroscopy
Photoelectron spectroscopy combined with quantum chemistry has been a powerful
approach to elucidate the structures and bonding of size-selected boron clusters (B n−) …
approach to elucidate the structures and bonding of size-selected boron clusters (B n−) …
B 48−: a bilayer boron cluster
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 …
quasi-planar in a wide size range. Even though cage structures emerged as the global …
Generalized octet rule with fractional occupancies for boron
The octet rule is a fundamental theory in the chemical bonding of main-group elements,
which achieve stable configurations by gaining, losing, or sharing electrons. However, the …
which achieve stable configurations by gaining, losing, or sharing electrons. However, the …
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 …
energy sciences. Experimentally, the structure of clusters is difficult to determine, but it is …
Monovalent lanthanide (I) in borozene complexes
Lanthanide (Ln) elements are generally found in the oxidation state+ II or+ III, and a few
examples of+ IV and+ V compounds have also been reported. In contrast, monovalent Ln (+ …
examples of+ IV and+ V compounds have also been reported. In contrast, monovalent Ln (+ …
Be4B12+: A Covalently Bonded Archimedean Beryllo‐Borospherene
X Dong, Y Liu, X Liu, S Pan, Z Cui… - Angewandte …, 2022 - Wiley Online Library
A new class of beryllium‐boron clusters, beryllo‐borospherene, is described herein
theoretically. When beryllium is gradually added to the B12 motif, it undergoes drastic …
theoretically. When beryllium is gradually added to the B12 motif, it undergoes drastic …
Spherical trihedral metallo-borospherenes
The discovery of borospherenes unveiled the capacity of boron to form fullerene-like cage
structures. While fullerenes are known to entrap metal atoms to form endohedral …
structures. While fullerenes are known to entrap metal atoms to form endohedral …
A bottom-up approach from medium-sized bilayer boron nanoclusters to bilayer borophene nanomaterials
Inspired by the experimentally observed bilayer B48−/0 and theoretically predicted bilayer
B50–B72 and based on extensive density functional theory calculations, we report herein a …
B50–B72 and based on extensive density functional theory calculations, we report herein a …
Structural evolution and relative stability of vanadium-doped boron clusters
Z Xiang, Z Luo, J Bi, S Jin, Z Zhang… - Journal of Physics …, 2022 - iopscience.iop.org
Cluster is the intermediate of individual atom and larger agglomeration. The structural
evolutions of clusters are critically important to explore the physical properties of bulk solids …
evolutions of clusters are critically important to explore the physical properties of bulk solids …