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Development of Boron-Based Materials

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A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Advanced Composites".

Deadline for manuscript submissions: 10 September 2024 | Viewed by 6599

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Special Issue Editor

Dr. Nevill Gonzalez Szwacki

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Guest Editor

Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, PL-02093 Warsaw, Poland
Interests: determination of the structure and properties of materials of different dimensionalities—atomic clusters, nanowires, nanotubes, two-dimensional structures, surfaces, and bulk structures; boron and boron-related nanomaterials; magnetic materials and nanomaterials; impurities and native defects in semiconductors; first-principle modeling of materials

Special Issue Information

Dear Colleagues,

This Special Issue covers but is not limited to the synthesis and applications of novel boron allotropes. Different ex- and in-situ techniques to characterize and investigate these advanced materials, such as their surface and interface properties, will be included. There are still many issues related to synthesis, characterization, stability, and low efficiency in specific properties. Of particular interest are their applications in the fields of electrochemical energy storage and conversion, catalysis, nanomedicine, environment, sensing, electronics, and engineering.

As examples of important topics, materials, and techniques, we expect contributions on:

Low-dimensional structures such as all-boron clusters, fullerenes, and one- and two-dimensional materials.
Novel allotropes of bulk boron.
Boron-based nanostructures such as alloys, heterostructures, and organic–inorganic hybrid structures.
Nanoscale compounds, including borides and boron hydrides, halides, carbides, and nitrides.
Novel two-dimensional transition metal borides (MBenes).
Defect-induced properties addressing quantum applications.
Advanced materials characterization techniques and the latest methods of computer simulations.

Dr. Nevill Gonzalez Szwacki
Guest Editor

Manuscript Submission Information

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Keywords

boron nanomaterials
bulk boron
boron nitrides
borides
MBenes
organic–inorganic hybrid structures
materials characterization techniques
new methods for computer simulations

Published Papers (6 papers)

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Research

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11 pages, 3212 KiB

Open AccessArticle

Superhard and Superconducting Bilayer Borophene

by Chengyong Zhong, Minglei Sun, Tariq Altalhi and Boris I. Yakobson

Materials 2024, 17(9), 1967; https://doi.org/10.3390/ma17091967 - 24 Apr 2024

Viewed by 240

Abstract

Two-dimensional superconductors, especially the covalent metals such as borophene, have received significant attention due to their new fundamental physics, as well as potential applications. Furthermore, the bilayer borophene has recently ignited interest due to its high stability and versatile properties. Here, the mechanical [...] Read more.

δ_{6}

borophene are explored by means of first-principles computations and anisotropic Migdal–Eliashberg analytics. We find that the coexistence of strong covalent bonds and delocalized metallic bonds endows this structure with remarkable mechanical properties (maximum 2D-Young’s modulus of ~570 N/m) and superconductivity with a critical temperature of ~20 K. Moreover, the superconducting critical temperature of this structure can be further boosted to ~46 K by applied strain, which is the highest value known among all borophenes or two-dimensional elemental materials. Full article

(This article belongs to the Special Issue Development of Boron-Based Materials)

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9 pages, 2478 KiB

Open AccessCommunication

Synthesis and Thermal Oxidation Resistance of Boron-Rich Boron–Carbide Material

by Seth Iwan, Wesley Sutton, Paul A. Baker, Raimundas Sereika and Yogesh K. Vohra

Materials 2023, 16(19), 6526; https://doi.org/10.3390/ma16196526 - 01 Oct 2023

Viewed by 974

Abstract

A boron-rich boron–carbide material (B_4+δC) was synthesized by spark plasma sintering of a ball-milled mixture of high-purity boron powder and graphitic carbon at a pressure of 7 MPa and a temperature of 1930 °C. This high-pressure, high-temperature synthesized material was recovered and characterized by X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, Vickers hardness measurements, and thermal oxidation studies. The X-ray diffraction studies revealed a single-phase rhombohedral structure (space group R-3m) with lattice parameters in hexagonal representation as a = 5.609 ± 0.007 Å and c = 12.082 ± 0.02 Å. The experimental lattice parameters result in a value of δ = 0.55, or the composition of the synthesized compound as B_4.55C. The high-resolution scans of boron binding energy reveal the existence of a B-C bond at 188.5 eV. Raman spectroscopy reveals the existence of a 386 cm⁻¹ vibrational mode representative of C-B-B linear chain formation due to excess boron in the lattice. The measured Vickers microhardness at a load of 200 gf shows a high hardness value of 33.8 ± 2.3 GPa. Thermal gravimetric studies on B_4.55C were conducted at a temperature of 1300 °C in a compressed dry air environment, and its behavior is compared to other high-temperature ceramic materials such as high-entropy transition metal boride. The high neutron absorption cross section, high melting point, high mechanical strength, and thermal oxidation resistance make this material ideal for applications in extreme environments. Full article

(This article belongs to the Special Issue Development of Boron-Based Materials)

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15 pages, 4020 KiB

Open AccessArticle

Transition Metal Borides for All-in-One Radiation Shielding

by Celal Avcıoğlu and Suna Avcıoğlu

Materials 2023, 16(19), 6496; https://doi.org/10.3390/ma16196496 - 29 Sep 2023

Cited by 3 | Viewed by 977

Abstract

All-in-one radiation shielding is an emerging concept in developing new-generation radiation protection materials since various forms of ionizing radiation, such as neutrons and gamma rays, can occur simultaneously. In this study, we examine the ability of transition metal borides to attenuate both photon and particle radiation. Specifically, fourteen different transition metal borides (including inner transition metal borides) are selected for examination based on their thermodynamic stabilities, molecular weights, and neutron capture cross-sections of the elements they contain. Radiation shielding characteristics of the transition metal borides are computationally investigated using Phy-X/PSD, EpiXS and NGCal software. The gamma-ray shielding capabilities of the transition metal borides are evaluated in terms of the mass attenuation coefficient (μ_m), the linear attenuation coefficient (µ), the effective atomic number (Z_eff), the half-value layer (HVL), the tenth-value layer (TVL), and the mean free path (MFP). The mass and linear attenuation factors are identified for thermal and fast neutrons at energies of 0.025 eV and 4 MeV, respectively. Moreover, the fast neutron removal cross-sections (∑R) of the transition metal borides are calculated to assess their neutron shielding abilities. The results revealed that borides of transition metals with a high atomic number, such as Re, W, and Ta, possess outstanding gamma shielding performance. At 4 MeV photon energy, the half-value layers of ReB₂ and WB₂ compounds were found as 1.38 cm and 1.43 cm, respectively. Most notably, these HVL values are lower than the HVL value of toxic Pb (1.45 cm at 4 MeV), which is one of the conventional radiation shielding materials. On the other hand, SmB₆ and DyB₆ demonstrated exceptional neutron attenuation for thermal and fast neutrons due to the high neutron capture cross-sections of Sm, Dy, and B. The outcomes of this study reveal that transition metal borides can be suitable candidates for shielding against mixed neutron and gamma radiation. Full article

(This article belongs to the Special Issue Development of Boron-Based Materials)

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10 pages, 1268 KiB

Open AccessArticle

Exploring the Structural, Electronic, Magnetic, and Transport Properties of 2D Cr, Fe, and Zr Monoborides

by Isabel M. Arias-Camacho and Nevill Gonzalez Szwacki

Materials 2023, 16(14), 5104; https://doi.org/10.3390/ma16145104 - 20 Jul 2023

Cited by 2 | Viewed by 847

Abstract

Compared to other 2D materials, MBenes are at an early stage of investigation in terms of both experimental and theoretical approaches. However, their wide range of possible 2D structures leads to novel and challenging properties and consequent applications. From all the possible stoichiometries, [...] Read more.

_{2}

_{2}

MBenes within the framework of density functional theory. We found that both symmetries of Cr

_{2}

_{2}

, Fe

_{2}

_{2}

, and Zr

_{2}

_{2}

show metallic behavior and could be grown under certain conditions as they were demonstrated to be dynamically stable. Moreover, the values of the magnetic moment observed, in specific ferromagnetic cases exceeding

2.5 μ_{B}

_{2}

_{2}

, make them suitable as robust 2D magnets. Our findings represent an important step in the understanding of MBenes and open several windows to future research in fields like energy conversion and storage, sensing, catalysis, biochemistry, and nanotechnology, among others. Full article

(This article belongs to the Special Issue Development of Boron-Based Materials)

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Review

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21 pages, 7799 KiB

Open AccessReview

Phase Transitions in Boron Carbide

by Helmut Werheit

Materials 2023, 16(20), 6734; https://doi.org/10.3390/ma16206734 - 17 Oct 2023

Cited by 1 | Viewed by 806

Abstract

The idealized rhombohedral unit cell of boron carbide is formed by a 12-atom icosahedron and a 3-atom linear chain. Phase transitions are second order and caused by the exchange of B and C sites or by vacancies in the structure. Nevertheless, the impact of such minimal structural changes on the properties can be significant. As the X-ray scattering cross sections of B and C isotopes are very similar, the capability of X-ray fine structure investigation is substantially restricted. Phonon spectroscopy helps close this gap as the frequency and strength of phonons sensitively depend on the bonding force and mass of the vibrating atoms concerned. Phase transitions known to date have been identified due to significant changes of properties: (1) The phase transition near the chemical composition B₈C by clear change of the electronic structure; (2) the endothermic temperature-dependent phase transition at 712 K according to the change of specific heat; (3) the high-pressure phase transition at 33.2 GPa by the drastic change of optical appearance from opacity to transparency. These phase transitions affect IR- and Raman-active phonons and other solid-state properties. The phase transitions at B_~8C and 712 K mean that a well-defined distorted structure is converted into another one. In the high-pressure phase transition, an apparently well-defined distorted structure changes into a highly ordered one. In all these cases, the distribution of polar C atoms in the icosahedra plays a crucial role. Full article

(This article belongs to the Special Issue Development of Boron-Based Materials)

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20 pages, 4927 KiB

Open AccessReview

Composites and Materials Prepared from Boron Cluster Anions and Carboranes

by Varvara V. Avdeeva, Svetlana E. Nikiforova, Elena A. Malinina, Igor B. Sivaev and Nikolay T. Kuznetsov

Materials 2023, 16(18), 6099; https://doi.org/10.3390/ma16186099 - 06 Sep 2023

Cited by 3 | Viewed by 1126

Abstract

Here, we present composites and materials that can be prepared starting with boron hydride cluster compounds (decaborane, decahydro-closo-decaborate and dodecahydro-closo-dodecaborate anions and carboranes). Recent examples of their utilization as boron protective coatings including using them to synthesize boron carbide, boron nitride, metal borides, metal-containing composites, and neutron shielding materials are discussed. The data are generalized demonstrate the versatile application of materials based on boron cluster anions and carboranes in various fields. Full article

(This article belongs to the Special Issue Development of Boron-Based Materials)

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