Boron oxide (B2O3) has recently emerged as a promising metal-free catalyst for the oxidative dehydrogenation (ODH) of methane, with remarkable selectivity for formaldehyde (HCHO) and carbon monoxide (CO) at 823 K. Since B2O3 melts at ∼725 K, the ODH reaction is likely to proceed in its molten state. In 2023, ab-initio molecular dynamics simulations by Rousseau and co-workers revealed that molten B2O3 comprises of 8-, 6-, 4-membered cyclic B-O-B sites and a B-B site. So herein, we carried out a detailed DFT-based mechanistic investigation for CH4 oxidation across these structural motifs with 1O2 and 3O2. Due to the multireference character of 1O2 and its associated species, CASSCF/NEVPT2 methodology was employed. Among all motifs, the B-B site exhibits superior catalytic activity toward HCHO formation (36.6kcal mol-1), while cyclic B-O-B sites require significantly higher activation barriers (∼ 50 to 78kcal mol-1). Orbital analysis reveals that electron transfer in cyclic B-O-B sites originates from oxygen lone-pair located in the ring, while at the B-B site, it originates from σ(B-B) bond. In addition, CO formation is thermodynamically more favorable than CO2, consistent with existing experimental observations. Overall, these mechanistic insights offer a foundation for designing efficient, metal-free methane oxidation catalysts.

ABSTRACT O3‐type layered cathodes for sodium‐ion batteries (NIBs) are promising cathodes, yet they are limited by irreversible phase transitions at high voltages, structural strain, and sluggish Na + transport, which compromise their cycling and rate performance. Here, a particle engineering strategy using boron oxide to simultaneously stabilize lattice framework, and regulate the crystal facet exposure is proposed. Boron oxide acts as a dual‐function additive, serving as both a flux that governs anisotropic crystal growth and a dopant that reinforces the metal–oxygen network through strong B─O bonding. This dual role drives the formation of submicron hexagonal platelets with a dominant (003) facet orientation and an enlarged Na‐layer spacing, resulting in fast in‐plane Na⁺ diffusion and exceptional structural integrity. Contrary to the conventional view that (003) planes are electrochemically inactive, controlled exposure of these facets suppresses interfacial degradation while maintaining high‐rate kinetics. The optimized boron‐modified cathode achieves excellent cycling stability, with 82.6% capacity retention after 400 cycles at 2C in full cells, together with superior high‐rate performance (92.0 mAh g −1 at 10C). This work illustrates facet engineering via boron modification as an effective and scalable route to reconcile the long‐standing durability–power trade‐off in O3‐type sodium layered oxides.

Synthesis and luminescence mechanism of fluorine-doped carbon dot-based composites with long lifetime and dual-mode afterglow.

Enhancement of thermoelectric power factor in boron and graphene-doped strontium cobalt oxide nanoceramics via sol-gel synthesis

Boron (B) powder is a promising high-energy fuel but suffers from inefficient combustion due to its native boron oxide (B2O3) passivation layer. Surface coating is a crucial strategy to overcome this limitation. In this study, core–shell structured B@NiF2/ammonium perchlorate (AP) composite micro-units with varying mass ratios were prepared using planetary ball milling to optimize energy release and combustion performance. The optimal formulation for the ternary composite was determined to be 0.5% NiF2, 13.3% B, and 86.2% AP. Morphological characterization revealed that NiF2 was uniformly coated on the B particles, forming a dense shell. Thermal analysis indicated that the NiF2 interfacial layer, through its high-temperature decomposition (NiF2 → Ni + 2F·), released highly reactive fluorine radicals (F·) that etched the B2O3 layer, generating volatile boron oxyfluoride and creating void structures. This led to a maximum heat release of 8912 J/g and a reaction mass gain of 74.58%, indicating more complete combustion. The material also exhibited a minimal ignition delay of 0.618 s and the lowest ignition energy (22.17 J). Overall, the B@NiF2/AP composite provides a novel solution for applying boron fuel in solid propellants and pyrotechnic technologies.

Understanding the intricate surface chemistry and structural heterogeneity at the electrode-electrolyte interface (EEI) remains a central challenge in the development of high-performance and long-lasting sodium- and lithium-ion batteries. Conventional spectroscopic and microscopic tools often fall short in resolving these interfaces at the nanoscale, limiting insights into the mechanisms that govern interfacial stability and degradation. Tip-Enhanced Raman Spectroscopy (TERS), which synergistically combines scanning probe microscopy with the chemical specificity of Raman scattering, offers a unique capability for nanometer-scale chemical imaging. We present a TERS-focused exploration of various battery electrode systems, integrating key findings from sodium-ion battery interfaces, borate-coated disordered rock salt cathodes, and SiOx-coated graphite anodes.Focal point of this study is the illustration of nano-scale chemical heterogeneity of EEI in sodium‐ion batteries through TERS, which demonstrated the first application of TERS to spatially resolve nanoscale chemical inhomogeneities at the EEI in sodium-ion batteries. Through sub-20 nm spatial resolution, TERS enabled the direct mapping of organic and inorganic components within the solid electrolyte interphase (SEI), uncovering lateral heterogeneities that conventional techniques cannot resolve. These results provide critical insight into the role of electrolyte additives and local degradation pathways, offering guidelines to engineer more uniform and stable interphases.Complementing above, exploration on boron oxide based coating of cathode active materials provides perspective on interfacial stabilization. TERS revealed that, the synthesized borate layer is structurally disordered and doped with alkali ions leached from the active material. These dopants disrupt the “superstructural” borate units, leading to polymorphic species such as pyroborates and diborates. Notably, TERS allowed precise quantification of dopant incorporation (40–60 mol% relative to boron oxide), a level of detail unattainable through conventional analytical techniques.The capability of TERS to probe the interphase SiOx coated graphite with silicate based inorganic aqueous binders . TERS uncovered a synthesized hybrid interphase comprising polysilicate chains and cyclic silicate motifs, with spatially selective structural features across the graphite surface. This complex, symbiotic interaction between SiOx and binder species contributes to improved electrochemical performance—insights that were previously obscured using other bulk/surface characterization methods.Together, these case studies underscore TERS as a powerful tool for nanoscale probing of energy materials, offering chemically specific, high-resolution insights into heterogeneous interfacial phenomena. As battery technologies evolve toward more complex, multicomponent interfaces, TERS stands out as a critical technique for guiding the rational design of stable, high-performance electrodes. We conclude by outlining future directions for TERS, accurate tracking of interfacial chemical evolution upon successive electrochemical cycling. Figure 1

The oxidation of boron (B) is of great significance in catalysis, metallurgy, corrosion, and combustion. However, understanding the early stages of oxidation and identifying intermediate phases remain a long-standing challenge. Here we reveal an oxidation mechanism termed the W–J model; unlike classical models that rely on the diffusion of oxygen or boron through a B2O3 layer, the initial reaction in the W–J model takes place at the interface between the boron core and the B2O3 shell. This interfacial reaction produces an oxidized intermediate, B6O, which is then further oxidized to form B2O3. The formation of B6O plays a crucial role in regulating the oxidation process. Its high thermal stability and strong oxygen affinity act as barriers to continuous oxidation, thereby lowering the ignition and combustion efficiency of boron. These findings highlight a fundamentally different reaction pathway that may help explain the limited reactivity observed in practical applications.

Biomimetic boron oxide healing interface: Triggering dual-defect synergy and electron-bridging in nickel cobalt oxide/boron nitride composites for enhanced hydrogen peroxide activation

Boron oxide layer confinement engineering for enhanced catalytic activity and stability in Heck reaction

Impact of copper doping on the structural, optical, and thermoluminescence properties of lithium aluminum borate material for radiation dosimetry applications.

Coating of electrochemically active material with a thin protective layer is an invaluable strategy to increase the material's performance and protect it from structural degradation during electrochemical cycling. Carbon and various inorganic materials including a borate glass-based coating have been tested in this regard. We have studied the chemical nature of the borate-based coated layer using state-of-the-art tip-enhanced Raman spectroscopy (TERS), which provides insight into the structural and chemical heterogeneity at the nanoscale. We found that the synthesized borate layer is highly disordered and doped with mobile alkali ions which leached out from the active material. The dopant cations break the boroxol structure present in the vitreous borate and lead to the formation of structural polymorphs such as pyroborate and diborate units. TERS allowed to elucidate that the degree of dopant present in the thin layer is in-between 40% and 60% molar weight with respect to boron oxide moieties.

This article discusses the kinetics of using a hydrogen peroxide solution to dissolve pure metallic silver in boric acid. The impact of temperature, rotation speed, hydrogen peroxide (H2O2) concentration, and boric acid concentration were investigated. The results indicate that silver dissolution rate and rotation speed have a positive relationship. Additionally, boric acid concentrations ranging from 0.10 to 0.40 M significantly enhance the dissolution process. The hydrogen peroxide concentration has no discernible influence on the rate of dissolution. While temperatures between 20 and 40 °C are beneficial, temperatures above 40 °C had the opposite effect and caused a layer of boron oxide (B2O3) to form. The activation energy was determined to be 30.49 kJ/mol. KEY WORDS: Silver, Dissolution, Hydrogen peroxide, Boric acid, Activation energy Bull. Chem. Soc. Ethiop. 2025, 39(11), 2185-2197. DOI: https://dx.doi.org/10.4314/bcse.v39i11.8

Expendious One Pot Boron Oxide Catalysed Synthesis of 4-Thiazolidinone Derivatives

In the current study, the adsorption potential of theB24O24 nanocarrier toward some nucleobases (NBs)and theirnucleoside-based anticancer drugs was investigated based on densityfunctional theory (DFT) calculations. The tendency of B24O24 to adsorb guanine (NB-G), adenine (NB-A), and uracil(NB-U) was investigated and comparatively addressed with thioguanine(TG), mercaptopurine (MP), and fluorouracil (FU) anticancer drugs.The potent adsorption process within NB/drug···B24O24 complexes was verified through the negativeinteraction (Eint) and adsorption (Eads) energy values. In particular, NB···B24O24 complexes exhibited more negative Eint values compared to drug···B24O24 analogs with values up to −56.47 and−51.93 kcal/mol, respectively. The dominant role of the electrostaticforces in the total interactions within the NB/drug···B24O24 complexes was affirmed based on symmetry-adaptedperturbation theory analysis. Noncovalent interaction analysis thoroughlycharacterized the intermolecular interactions within the studied NB/drug···B24O24 complexes. The substantial effect of wateron NB/drug···B24O24 complexeswas also noticed by means of favorable adsorption and solvation energies.In the scope of thermodynamic parameters, the spontaneous and exothermicnature of the studied NB/drug···B24O24 complexes was affirmed. Electronic analyses affirmed thatthe adsorption process of the studied NBs and drugs substantiallyaffected the electronic nature of B24O24. Further,IR and Raman spectra verified the occurrence of the studied adsorptionwithin NB/drug···B24O24 complexes.Based on the calculated recovery time values, the release of the studiedNBs and drugs from the surface of B24O24 atthe target site was verified. Overall, the results offered in-depthinsights into the promising biomedical applications of B24O24, especially in the targeted delivery of NBs and anticancerdrugs.

We employ classical molecular dynamics (MD) simulations to study processes governed by particle–surface interactions. The interatomic potential energy functions are described by a neural network potential (NNP) trained on an extensive set of density functional theory (DFT) calculations in a semi-iterative fashion. Potential construction and simulation set up follow the Behler–Parrinello approach. As a specific example we investigate sputtering, reflection, and adsorption phenomena occurring on boron and boron oxide surfaces under the impact of deuterium atoms, systems that reflect recent developments in materials science. Besides the frequent use of boron surfaces as an oxygen-gathering material in technical applications, boron-based compounds will be used in future fusion devices. Understanding their interaction with energetic plasma particles is essential, yet their stability and sputtering behavior at the atomic level have remained largely unexplored. From our simulations, we analyzed sputtering yields, adsorption, and reflection events on both boron and boron oxide surfaces. The production simulations included about 750 atoms and covered a range of incident energies and impact angles. Increasing the deuterium impact energy generally leads to an increase in sputtering yields but with distinct energy-dependent trends. The sputtering yield of boron from boron oxide surfaces remains significantly lower than from surfaces of pristine boron. We use an analytical approach to estimate an effective surface binding energy. The work presented here, especially the various energy- and angle dependent rates, can be used to create a parametric model of the B and B2O3 surfaces under the impact of hot particles.

Radical copolymerization of ethylene was performed with alkenyl boronate, and post-polymerization oxidation was conducted to synthesize hydroxy-functionalized polyethylene (PE). The copolymerization behavior was dependent on the molecular structure of the boron monomer: the copolymerization with α-methyl substituted monomer carrying boronic acid pinacol ester [isopropenylboronic acid pinacol ester (IPBpin)] afforded copolymers with higher molar masses than the vinyl-type monomer [i.e., vinylboronic acid pinacol ester (VBpin)]. The content of the boron-pendant units was up to 7 mol%, and kinetic studies suggested the incorporation of boron-pendant units in a discrete manner. The post-polymerization oxidation of the boron pendants on the copolymer proceeded quantitatively, affording a hydroxy-containing polyethylene. The introduction of a hydroxy group had a significant impact on the crystallization behaviors.

Green synthesis of carbon dots and their application as fluorescent probes for rutin detection.

First-principles study on the role of Ti, V, and Sc catalysts in enhancing the catalytic effects of boron oxide monolayer for efficient Lithium-selenium batteries

This study presents the development of environmentally friendly, sustainable alternative brake friction materials reinforced with mechanically alloyed (M.A.) boron-based additives, including a novel combination of boron oxide, borax, and colemanite. Pin-on-disc tests were conducted under dry sliding at 6.7 m/s with varying normal loads (322.58, 483.87, and 645.16 N) under constant and variable temperature conditions to evaluate their tribological behavior. The 10% triple-boron M.A. (BTMA) reinforced samples exhibited the lowest specific wear rates and maintained stable friction coefficients, outperforming conventional commercial counterparts. Surface morphology and phase composition were analyzed using SEM, EDS, and XRD techniques, revealing robust wear resistance mechanisms and the formation of protective tribolayers. These findings highlight the potential of M.A. boron systems as a high-performance and sustainable alternative to conventional and boron carbide-based brake materials.

Advanced nitrogen and phosphorus removal from municipal tailwater in sulfur-based constructed wetland strengthened by boron oxide and magnesium oxide at low temperatures: Role of multipath autotrophic pathways