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

2016 ◽  
Vol 35 (1) ◽  
pp. 69-142 ◽  
Author(s):  
Lai-Sheng Wang
Keyword(s):  
Photoelectron Spectroscopy ◽  
Boron Clusters ◽  
Planar Structures

A photoelectron spectroscopy and ab initio study of B21−: Negatively charged boron clusters continue to be planar at 21

2012 ◽  
Vol 136 (10) ◽  
pp. 104310 ◽  
Author(s):  
Zachary A. Piazza ◽  
Wei-Li Li ◽  
Constantin Romanescu ◽  
Alina P. Sergeeva ◽  
Lai-Sheng Wang ◽  
...  
Keyword(s):  
Ab Initio ◽  
Photoelectron Spectroscopy ◽  
Ab Initio Study ◽  
Boron Clusters

scholarly journals Relative stability of planar clusters B11, B12, and B13 in neutral- and charged-states

2019 ◽  
Vol 2 (2) ◽  
Author(s):  
Levan Chkhartishvili
Keyword(s):  
Binding Energy ◽  
Relative Stability ◽  
Energy Criterion ◽  
Nanostructured Coating ◽  
Neutron Absorption ◽  
Coating Materials ◽  
Boron Cluster ◽  
Boron Clusters ◽  
Planar Structures ◽  
Electromagnetic Radiations

Theoretically, within the diatomic model, there is studied the relative stability of most abundant boron clusters B11, B12, and B13 with planar structures in neutral, positively and negatively charge-states. According to the specific (pet atom) binding energy criterion, B12+ (6.49 eV) is found to be the most stable boron cluster, while B11– + B13+ (5.83 eV) neutral pair is expected to present the preferable ablation channel for boron-rich solids. Obtained results would be applicable in production of boron-clusters-based nanostructured coating materials with super-properties such as lightness, hardness, conductivity, chemically inertness, neutron-absorption, etc. making them especially effective for protection against cracking, wear, corrosion, neutron- and electromagnetic-radiations, etc.

scholarly journals Relative stability of planar clusters B11, B12, and B13 in neutral- and charged-states

2018 ◽  
Author(s):  
Levan Chkhartishvili
Keyword(s):  
Binding Energy ◽  
Relative Stability ◽  
Energy Criterion ◽  
Nanostructured Coating ◽  
Neutron Absorption ◽  
Coating Materials ◽  
Boron Cluster ◽  
Boron Clusters ◽  
Planar Structures ◽  
Electromagnetic Radiations

Theoretically, within the diatomic model, there is studied the relative stability of most abundant boron clusters B11, B12, and B13 with planar structures in neutral, positively and negatively charge-states. According to the specific (pet atom) binding energy criterion, B12+ (6.49 eV) is found to be the most stable boron cluster, while B11– + B13+ (5.83 eV) neutral pair is expected to present the preferable ablation channel for boron-rich solids. Obtained results would be applicable in production of boron-clusters-based nanostructured coating materials with super-properties such as lightness, hardness, conductivity, chemically inertness, neutron-absorption, etc. making them especially effective for protection against cracking, wear, corrosion, neutron- and electromagnetic-radiations, etc.

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

2019 ◽  
Vol 48 (13) ◽  
pp. 3550-3591 ◽  
Author(s):  
Tian Jian ◽  
Xuenian Chen ◽  
Si-Dian Li ◽  
Alexander I. Boldyrev ◽  
Jun Li ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Boron Clusters

Photoelectron spectroscopy in conjunction with theoretical calculations has been used to investigate size-selected boron clusters, uncovering interesting structures and bonding.

Boron clusters with 46, 48, and 50 atoms: competition among the core–shell, bilayer and quasi-planar structures

Nanoscale ◽  
2017 ◽  
Vol 9 (37) ◽  
pp. 13905-13909 ◽  
Author(s):  
Linwei Sai ◽  
Xue Wu ◽  
Nan Gao ◽  
Jijun Zhao ◽  
R. Bruce King
Keyword(s):  
Genetic Algorithm ◽  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Global Search ◽  
Core Shell ◽  
Functional Theory ◽  
Boron Clusters ◽  
The Core ◽  
Planar Structures

Using a genetic algorithm combined with density functional theory calculations, we perform a global search for the lowest-energy structures of Bnclusters withn= 46, 48, 50.

Photoelectron Spectroscopy of Size-Selected Bismuth–Boron Clusters: BiBn– (n = 6–8)

2021 ◽  
Author(s):  
Wei-Jia Chen ◽  
Maksim Kulichenko ◽  
Hyun Wook Choi ◽  
Joseph Cavanagh ◽  
Dao-Fu Yuan ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Boron Clusters

scholarly journals Monovalent lanthanide(I) in borozene complexes

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Wan-Lu Li ◽  
Teng-Teng Chen ◽  
Wei-Jia Chen ◽  
Jun Li ◽  
Lai-Sheng Wang
Keyword(s):  
Magnetic Properties ◽  
Oxidation State ◽  
Photoelectron Spectroscopy ◽  
Global Minimum ◽  
Theoretical Calculations ◽  
Oxidation States ◽  
State Change ◽  
Boron Clusters ◽  
Aromatic Ligand ◽  
Hydrocarbon Molecules

AbstractLanthanide (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(+I) complexes remain scarce. Here we combine photoelectron spectroscopy and theoretical calculations to study Ln-doped octa-boron clusters (LnB8−, Ln = La, Pr, Tb, Tm, Yb) with the rare +I oxidation state. The global minimum of the LnB8− species changes from Cs to C7v symmetry accompanied by an oxidation-state change from +III to +I from the early to late lanthanides. All the C7v-LnB8− clusters can be viewed as a monovalent Ln(I) coordinated by a η8-B82− doubly aromatic ligand. The B73−, B82−, and B9− series of aromatic boron clusters are analogous to the classical aromatic hydrocarbon molecules, C5H5−, C6H6, and C7H7+, respectively, with similar trends of size and charge state and they are named collectively as “borozenes”. Lanthanides with variable oxidation states and magnetic properties may be formed with different borozenes.

scholarly journals Spectroscopic Study of Hydrogen Bonded7-Azaindole Clusters

1995 ◽  
Vol 15 (2-4) ◽  
pp. 167-181 ◽  
Author(s):  
A. Nakajima ◽  
F. Ono ◽  
Y. Kihara ◽  
A. Ogawa ◽  
K. Matsubara ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Transition Dipole Moment ◽  
Laser Induced Fluorescence ◽  
Binding Energies ◽  
Field Ionization ◽  
Cluster Anions ◽  
Transition Dipole ◽  
Planar Structures ◽  
Pulsed Field Ionization ◽  
Electron Binding Energies

The geometric structures of 7-azaindole (7-AzI) and its dimer were investigated by laser-induced fluorescence (LIF). The rotationally resolved LIF spectrum (resolution: ∼0.00003 cm-1 of 7-AzI monomer shows that (i) rotational constants are A′′ 0.13082(5), B′′ = 0.05677(2), C′′ = 0.03970(1), A′ = 0.12468(5), B′ = 0.056752(2), and C′ = 0.03911(1), and (ii) the transition dipole moment direction is tilted at an angle of ± 21(5) degrees with respect to a axis. The LIF spectrum (resolution: ∼0.06 cm-1) of the nonreactive 7-AzI dimer suggests there are three possibilities for the geometric structure, having “single bonded”, “T-shaped”, and “non-planar” structures.The ionization energy of 7-AzI was determined to be 8.1171(5) eV by using pulsed-field ionization photoelectron spectroscopy (PFI-PES). Several vibronic bands of 7-AzI cation were observed and compared with those of neutral 7-AzI in the S0 and S1 states. The electron binding energies of 7-AzI cluster anions (2 ≤ n ≤ 5) were determined by photoelectron spectroscopy.

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