Probing the structures and bonding of size-selected boron and doped-boron clusters
Because of their interesting structures and bonding and potentials as motifs for new
nanomaterials, size-selected boron clusters have received tremendous interest in recent …
nanomaterials, size-selected boron clusters have received tremendous interest in recent …
From planar boron clusters to borophenes and metalloborophenes
Elemental boron and its compounds exhibit unusual structures and chemical bonding owing
to the electron deficiency of boron. Joint photoelectron spectroscopy and theoretical studies …
to the electron deficiency of boron. Joint photoelectron spectroscopy and theoretical studies …
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−) …
Global optimization of chemical cluster structures: Methods, applications, and challenges
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 …
TGMin: A global-minimum structure search program based on a constrained basin-hop** algorithm
In this article, we introduce Tsinghua Global Minimum (TGMin) as a new program for the
global minimum searching of geometric structures of gas-phase or surface-supported atomic …
global minimum searching of geometric structures of gas-phase or surface-supported atomic …
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 …
Suppressed superconductivity in substrate-supported β12 borophene by tensile strain and electron do**
Planar borophene, the truly 2D monolayer boron, has been independently successfully
grown on Ag (1 1 1) by two groups (2016 Nat. Chem. 8 563 and 2015 Science 350 1513) …
grown on Ag (1 1 1) by two groups (2016 Nat. Chem. 8 563 and 2015 Science 350 1513) …
Recent progresses of global minimum searches of nanoclusters with a constrained Basin-Hop** algorithm in the TGMin program
Finding the global minima of nanoclusters is of great importance in cluster science and
nanoscience. We have developed an efficient global minimum search program, named …
nanoscience. We have developed an efficient global minimum search program, named …
A DFT study on the geometrical structures, electronic, and spectroscopic properties of inverse sandwich monocyclic boron nanoclusters ConBm (n = 1.2; m …
Recent photoelectron spectroscopy and computational studies have shown that boron ring–
centered transition metal–doped inverse sandwich complexes prefer planar or quasi-planar …
centered transition metal–doped inverse sandwich complexes prefer planar or quasi-planar …
Structural evolution and relative stability of vanadium-doped boron clusters
Z **ang, Z Luo, J Bi, S **, 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 …