Results 31 to 40 of about 10,317 (278)

Electron density mapping of boron clusters via convolutional neural networks to augment structure prediction algorithms

open access: yes, 2023
Determination and prediction of atomic cluster structures is an important endeavor in the field of nanoclusters and thereby in materials research. To a large extent the fundamental properties of a nanocluster including its chemical, optical, magnetic ...
Minh Tho, Nguyen, Pinaki, Saha
core   +1 more source

The Boron Advantage: The Evolution and Diversification of Boron’s Applications in Medicinal Chemistry

open access: yesPharmaceuticals, 2022
In this review, the history of boron’s early use in drugs, and the history of the use of boron functional groups in medicinal chemistry applications are discussed. This includes diazaborines, boronic acids, benzoxaboroles, boron clusters, and carboranes.
Katia Messner   +2 more
doaj   +1 more source

Interior Melting of the C3B16 and C2B14− Clusters Between 1000 K and 2000 K

open access: yesCondensed Matter, 2017
For bulk three-dimensional materials, it is common for the surface to melt at a slightly lower temperature than the bulk. This is known as surface melting, and is typically due to the fact that there are fewer bonds to surface atoms.
Li-Ming Yang, Eric Ganz
doaj   +1 more source

Co-Solvent Exfoliation of Hexagonal Boron Nitride: Effect of Raw Bulk Boron Nitride Size and Co-Solvent Composition

open access: yesNanomaterials, 2020
Exfoliation of two-dimensional boron nitride nanosheets (BNNSs) from parent bulk material has been receiving intensive attention because of its fascinating physical properties.
Xiang Nie   +5 more
doaj   +1 more source

Boron-Decorated Pillared Graphene as the Basic Element for Supercapacitors: An Ab Initio Study

open access: yesApplied Sciences, 2021
In this work, using the first-principle density functional theory (DFT) method, we study the properties of a new material based on pillared graphene and the icosahedral clusters of boron B12 as a supercapacitor electrode material.
Dmitry A. Kolosov, Olga E. Glukhova
doaj   +1 more source

C2 product formation in the CO2 electroreduction on boron-doped graphene anchored copper clusters

open access: yes, 2021
A possible remedy for the increasing CO2 concentration in the atmosphere is capturing, and reducing it into valuable chemicals like methane, methanol, ethylene, ethanol, etc.
Tibor, Höltzl   +2 more
core   +1 more source

Structures, stability, mechanical and electronic properties of α-boron and α*-boron

open access: yesAIP Advances, 2013
The structures, stability, mechanical and electronic properties of α-boron and a promising metastable boron phase (α*-boron) have been studied by first-principles calculations.
Chaoyu He, J. X. Zhong
doaj   +1 more source

Boron Influence on Defect Structure and Properties of Lithium Niobate Crystals

open access: yesCrystals, 2021
Defect structure of nominally pure lithium niobate crystals grown from a boron doped charge have been studied by Raman and optical spectroscopy, laser conoscopy, and photoinduced light scattering.
Nikolay V. Sidorov   +6 more
doaj   +1 more source

The Structures and Bonding of Bismuth-Doped Boron Clusters: BiB4 and BiB5

open access: yesInorganics, 2023
We present an investigation on the structures and chemical bonding of two Bi-doped boron clusters BiBn− (n = 4, 5) using photoelectron spectroscopy and theoretical calculations. The electron affinities of BiB4 and BiB5 are measured to be 2.22(2) eV and 2.
Hyun Wook Choi   +4 more
doaj   +1 more source

Boron-Based Inverse Sandwich V2B7 Cluster: Double π/σ Aromaticity, Metal–Metal Bonding, and Chemical Analogy to Planar Hypercoordinate Molecular Wheels

open access: yesMolecules, 2023
Inverse sandwich clusters composed of a monocyclic boron ring and two capping transition metal atoms are interesting alloy cluster systems, yet their chemical bonding nature has not been sufficiently elucidated to date.
Peng-Fei Han, Qiang Sun, Hua-Jin Zhai
doaj   +1 more source

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