Super atomic clusters: design rules and potential for building blocks of materials
Atomic clusters, consisting of a few to a few thousand atoms, have emerged over the past 40
years as the ultimate nanoparticles, whose structure and properties can be controlled one …
years as the ultimate nanoparticles, whose structure and properties can be controlled one …
B22– and B23–: All-Boron Analogues of Anthracene and Phenanthrene
Clusters of boron atoms exhibit intriguing size-dependent structures and chemical bonding
that are different from bulk boron and may lead to new boron-based nanostructures. We …
that are different from bulk boron and may lead to new boron-based nanostructures. We …
The Unusually Stable B100 Fullerene, Structural Transitions in Boron Nanostructures, and a Comparative Study of α- and γ-Boron and Sheets
Solid α-B12 rhombohedral and γ-B28 orthorhombic boron as well as boron nanostructures
in the form of spheres, sheets, and multirings beside a ring consisting of icosahedral B12 …
in the form of spheres, sheets, and multirings beside a ring consisting of icosahedral B12 …
B14: An all-boron fullerene
L Cheng - The Journal of Chemical Physics, 2012 - pubs.aip.org
Experiments revealed that small boron cluster anions and cations are (quasi-) planar. For
neutral boron cluster,(quasi-) planar motifs are also suggested to be global minimum by …
neutral boron cluster,(quasi-) planar motifs are also suggested to be global minimum by …
The 2D-to-3D geometry hop** in small boron clusters: The charge effect
DFT TPSSh/6-311+ G (d) calculations are carried out on a series of 2D and 3D forms of Bn,
n= 20, 22 and 24 in different charge states. For a certain size, the relative energy within a …
n= 20, 22 and 24 in different charge states. For a certain size, the relative energy within a …
Disk Aromaticity of the Planar and Fluxional Anionic Boron Clusters B20−/2−
TB Tai, A Ceulemans… - Chemistry–A European …, 2012 - Wiley Online Library
The remarkable features of small boron clusters (Bn) have attracted much interest during the
past several decades. Their molecular structures were the subject of a large number of …
past several decades. Their molecular structures were the subject of a large number of …
A disk-aromatic bowl cluster B 30: toward formation of boron buckyballs
The B30 boron cluster has a bowl rather than a double-ring or a triple-ring tubular structure.
This bowl isomer exhibits disk-aromaticity similar to that found for B202− and B19− clusters …
This bowl isomer exhibits disk-aromaticity similar to that found for B202− and B19− clusters …
Towards novel boron nanostructural materials
I Boustani - … : Applications and theory. Cambridge: Royal Society …, 2011 - books.google.com
Nanostructures are linked to many areas of science and technology. A cornerstone of our
current research is the practical development of boron cluster-based, nanostructured …
current research is the practical development of boron cluster-based, nanostructured …
The boron conundrum: Bonding in the bowl B30 and B36, fullerene B40 and triple ring B42 clusters
Geometries and bonding of B 30, B 36, B 40 and B 42 clusters were studied using quantum
chemical computations. The bowl B 30 and B 36 and planar B 42 clusters exhibit disk …
chemical computations. The bowl B 30 and B 36 and planar B 42 clusters exhibit disk …
The binary boron lithium clusters B 12 Li n with n= 1–14: in search for hydrogen storage materials
Molecular structures and properties of the binary clusters containing twelve boron atoms
mixed with n lithium atoms, B12Lin with n= 1–14, were investigated using density functional …
mixed with n lithium atoms, B12Lin with n= 1–14, were investigated using density functional …