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 …
Synthesis of bilayer borophene
As the nearest-neighbour element to carbon, boron is theoretically predicted to have a
planar two-dimensional form, named borophene, with novel properties, such as Dirac …
planar two-dimensional form, named borophene, with novel properties, such as Dirac …
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−) …
First-Principles Particle-Swarm Structure Calculations on Metal Substrate Modulated Monolayer to Bilayer Borophene Crystalline Structures toward Nanoelectronics
Y Wang, H Lv, X Wu, J Yang - ACS Applied Nano Materials, 2023 - ACS Publications
The possible structures of borophene have attracted great research interests during the past
years due to the multicenter bonding characteristics derived from the electron deficiency of …
years due to the multicenter bonding characteristics derived from the electron deficiency of …
Prediction of freestanding semiconducting bilayer borophenes
Supported bilayer α-borophene (BL-α borophene) on Ag (111) substrate has been
synthesized in recent experiments. Based on the experimentally observed quasi-planar C 6 …
synthesized in recent experiments. Based on the experimentally observed quasi-planar C 6 …
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 …
Geometric and electronic structures of medium-sized boron clusters doped with plutonium
J Zuo, L Zhang, B Chen, K He, W Dai… - Journal of Physics …, 2023 - iopscience.iop.org
Doping metal heteroatoms is an effective strategy to regulate the geometric and electronic
structure of boron based nanoclusters. However, the exploration of the ground state …
structure of boron based nanoclusters. However, the exploration of the ground state …
B 96: a complete core–shell structure with high symmetry
L Sai, X Wu, F Li - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
A complete core–shell and highly symmetric B96 was designed. The core–shell B96 of Th
symmetry is energetically favorable compared to the bilayer motif and the core–shell …
symmetry is energetically favorable compared to the bilayer motif and the core–shell …
Photoelectron Spectroscopy of Size-Selected Bismuth–Boron Clusters: BiBn– (n = 6–8)
Because of its low toxicity, bismuth is considered to be a “green metal” and has received
increasing attention in chemistry and materials science. To understand the chemical …
increasing attention in chemistry and materials science. To understand the chemical …