Formation of Ultrathin Diamond Films on Metal Substrates via Graphene-Metal Bonding.

Diamond's exceptional properties make it a key material in various technologies, but synthesizing its low-dimensional form, diamane─a diamond film with atomic thickness─remains challenging. Diamane synthesis is complicated by the instability of ultrathin films, which tend to delaminate into multilayer graphene. However, chemically induced phase transitions, where the adsorption of specific atoms stabilizes the film, offer a potential solution.

Toward Superior Stiffness in Carbon: The Interplay between Bond Strength and Anisotropic Response.

Carbon's ability to form diverse structures with varying hybridizations motivates the search for novel materials surpassing diamond's exceptional mechanical rigidity. We analyze previously predicted superhard phases and find that some exhibit average bond stiffness and density higher than those of diamond, hinting at potentially superior stiffness. However, these structures show a lower bulk modulus.

Facilitating the Hydrogen Evolution Reaction on Basal-Plane S Sites on MoS@NiS by Dual Ti and N Plasma Treatment.

Atomic engineering of the basal plane active sites in MoS holds great promise to boost the electrocatalytic activity for hydrogen evolution reactions (HER), yet the performance optimization and mechanism exploration are still not satisfactory. Herein, we proposed a dual-plasma engineering strategy to implant Ti and N heteroatoms into the basal plane of MoS supported by NiS nanorods on nickel foam (MSNF) for efficient electrocatalysis of HER. Owing to the low formation energy of Ti dopants in MoS and the extra charge carriers introduced by N dopants, the optimally codoped samples N1.

Engineering of a Layered Ferromagnet via Graphitization: An Overlooked Polymorph of GdAlSi.

Layered magnets are stand-out materials because of their range of functional properties that can be controlled by external stimuli. Regretfully, the class of such compounds is rather narrow, prompting the search for new members. Graphitization─stabilization of layered graphitic structures in the 2D limit─is being discussed for cubic materials.

Resistive Switching in Bigraphene/Diamane Nanostructures Formed on a LaGaSiO Substrate Using Electron Beam Irradiation.

Memristors, resistive switching memory devices, play a crucial role in the energy-efficient implementation of artificial intelligence. This study investigates resistive switching behavior in a lateral 2D composite structure composed of bilayer graphene and 2D diamond (diamane) nanostructures formed using electron beam irradiation. The resulting bigraphene/diamane structure exhibits nonlinear charge carrier transport behavior and a significant increase in resistance.

Theoretical Analysis of Riboflavin Adsorption on Hexagonal Boron Nitride for Drug Delivery Applications: Unveiling the Influence of Point Defects.

This research delves into the intriguing realm of investigating the stability of vitamin B2 (riboflavin, Rf) on hexagonal boron nitride (h-BN), both in its pristine state and in the presence of vacancy defects, with the aim of harnessing their potential as carriers for drug delivery applications. Employing the density functional theory (DFT), we perform binding energy calculations and analyze the electronic structure of the BN@Rf system to unravel the nature of their interactions. Our comprehensive DFT calculations unequivocally demonstrate the spontaneous physical sorption of the drug onto the h-BN surface, facilitated by the formation of π-π stacking interactions.

The Temperature Dependence of the Hexagonal Boron Nitride Oxidation Resistance, Insights from First-Principle Computations.

In this work, we studied the oxidation stability of h-BN by investigating different variants of its modification by -OH, -O- and -O-O- groups using an atomistic thermodynamics approach. We showed that up to temperatures of ~1700 K, oxygen is deposited on the surface of hexagonal boron nitride without dissociation, in the form of peroxide. Only at higher temperatures, oxygen tends to be incorporated into the lattice of hexagonal boron nitride, except in the presence of defects N, when the embedding occurs at all temperatures.

Visualization of Swift Ion Tracks in Suspended Local Diamondized Few-Layer Graphene.

In the present study we investigated the nanostructuring processes in locally suspended few-layer graphene (FLG) films by irradiation with high energy ions (Xe, 26-167 MeV). For such an energy range, the main channel of energy transfer to FLG is local, short-term excitation of the electronic subsystem. The irradiation doses used in this study are 1 × 10-5 × 10 ion/cm.

Synergistic Catalytic Effect of Ag and MgO Nanoparticles Supported on Defective BN Surface in CO Oxidation Reaction.

Micron-sized supports of catalytically active nanoparticles (NPs) can become a good alternative to nanocarriers if their structure is properly tuned. Here, we show that a combination of simple and easily scalable methods, such as defect engineering and polyol synthesis, makes it possible to obtain Ag and MgO nanoparticles supported on defective hexagonal BN (h-BN) support with high catalytic activity in the CO oxidation reaction. High-temperature annealing in air of Mg-containing (<0.

Single-step extraction of small-diameter single-walled carbon nanotubes in the presence of riboflavin.

We propose a novel approach to disperse and extract small-diameter single-walled carbon nanotubes (SWCNTs) using an aqueous solution of riboflavin and Sephacryl gel. The extraction of small-diameter semiconducting SWCNTs was observed, regardless of the initial diameter distribution of the SWCNTs. Dispersion of SWCNTs occurs due to the adsorption of π-conjugated isoalloxazine moieties on the surface of small-diameter nanotubes and interactions between hydroxy groups of ribityl chains with water.

Formation of Diamane Nanostructures in Bilayer Graphene on Langasite under Irradiation with a Focused Electron Beam.

In the presented paper, we studied bilayer CVD graphene transferred to a langasite substrate and irradiated with a focused electron beam through a layer of polymethyl methacrylate (PMMA). Changes in the Raman spectra and an increase in the electrical resistance of bigraphene after irradiation indicate a local phase transition associated with graphene diamondization. The results are explained in the framework of the theory of a chemically induced phase transition of bilayer graphene to diamane, which can be associated with the release of hydrogen and oxygen atoms from PMMA and langasite due to the "knock-on" effect, respectively, upon irradiation of the structure with an electron beam.

Efficient and Reusable Sorbents Based on Nanostructured BN Coatings for Water Treatment from Antibiotics.

Increasing contamination of wastewater with antibiotics used in agriculture, animal husbandry, and medicine is a serious problem for all living things. To address this important issue, we have developed an efficient platform based on a high specific surface area hexagonal boron nitride (BN) coating formed by numerous nanopetals and nanoneedles. The maximum sorption capacity of 1 × 1 cm BN coatings is 502.

Half-Metallic Heusler Alloy/MoS Based Magnetic Tunnel Junction.

Integration of half-metallic materials and 2D spacers into vertical magnetoresistive spin valves may pave the way for effective low-power consumption storage and memory technologies. Driven by the recent successful growth of graphene/half-metallic CoFe(GeGa) (CFGG) heterostructure, here we report a theoretical investigation of magnetic tunnel junction (MTJ) based on the ferromagnetic CFGG Heusler alloy and the MoS spacer of different thicknesses. Using approach, we demonstrate that the inherent ferromagnetism of CFGG is preserved at the interface, while its half-metallicity is recovering within few atomic layers.

Diamane Oxide. Two-Dimensional Film with Mixed Coverage and a Variety of Electronic Properties.

Here, we investigate stability of the diamane oxide films and show that various compositions can be realized depending on the precursors, temperature, and pressure. We demonstrate that the commonly used oxygen source in the HO form requires pressures of GPa order to fabricate the film, which is in full agreement with the experimental data. We show that different types of functional groups can tailor electronic properties of bilayer diamane.

The Role of Structural Defects in the Growth of Two-Dimensional Diamond from Graphene.

The presented work is devoted to the study of the formation of the thinnest diamond film (diamane). We investigate the initial stages of diamond nucleation in imperfect bilayer graphene exposed by the deposition of H atoms (chemically induced phase transition). We show that defects serve as nucleation centers, their hydrogenation is energy favorable and depends on the defect type.

A New Insight into the Mechanisms Underlying the Discoloration, Sorption, and Photodegradation of Methylene Blue Solutions with and without BNO Nanocatalysts.

Methylene blue (MB) is widely used as a test material in photodynamic therapy and photocatalysis. These applications require an accurate determination of the MB concentration as well as the factors affecting the temporal evolution of the MB concentration. Optical absorbance is the most common method used to estimate MB concentration.

Edges in bilayered h-BN: insights into the atomic structure.

This study is devoted to the study of the edges of bilayered h-BN, whose atomic structure was previously generally unknown. It is shown that the edges tend to connect regardless of the edge cut. A defectless connection can be expected only in the case of a zigzag edge, while in other cases a series of tetragonal and octagonal defects will be formed.

Recent Progress in Fabrication and Application of BN Nanostructures and BN-Based Nanohybrids.

Due to its unique physical, chemical, and mechanical properties, such as a low specific density, large specific surface area, excellent thermal stability, oxidation resistance, low friction, good dispersion stability, enhanced adsorbing capacity, large interlayer shear force, and wide bandgap, hexagonal boron nitride (-BN) nanostructures are of great interest in many fields. These include, but are not limited to, (i) heterogeneous catalysts, (ii) promising nanocarriers for targeted drug delivery to tumor cells and nanoparticles containing therapeutic agents to fight bacterial and fungal infections, (iii) reinforcing phases in metal, ceramics, and polymer matrix composites, (iv) additives to liquid lubricants, (v) substrates for surface enhanced Raman spectroscopy, (vi) agents for boron neutron capture therapy, (vii) water purifiers, (viii) gas and biological sensors, and (ix) quantum dots, single photon emitters, and heterostructures for electronic, plasmonic, optical, optoelectronic, semiconductor, and magnetic devices. All of these areas are developing rapidly.

Electronic properties of graphene oxide: nanoroads towards novel applications.

In this work, we suggest an approach to manipulate the electronic properties of graphene oxide in a controllable manner. We study graphene nanoroads paved inside graphene oxide using density functional calculations. We show that this patterning allows transforming an insulator, graphene oxide, into a semiconductor or metal depending on the orientation of the nanoroads and their magnetic state.

Optomechanical Properties of MoSe Nanosheets as Revealed by Transmission Electron Microscopy.

Free-standing few-layered MoSe nanosheet stacks optoelectronic signatures are analyzed by using light compatible transmission electron microscopy (TEM) utilizing an optical TEM holder allowing for the simultaneous mechanical deformation, electrical probing and light illumination of a sample. Two types of deformation, namely, (i) bending of nanosheets perpendicular to their basal atomic planes and (ii) edge deformation parallel to the basal atomic planes, lead to two distinctly different optomechanical performances of the nanosheet stacks. The former deformation induces a stable but rather marginal increase in photocurrent, whereas the latter mode is prone to unstable nonsystematic photocurrent value changes and a red-shifted photocurrent spectrum.

Nanohardness from First Principles with Active Learning on Atomic Environments.

We propose a methodology for the calculation of nanohardness by atomistic simulations of nanoindentation. The methodology is enabled by machine-learning interatomic potentials fitted on the fly to quantum-mechanical calculations of local fragments of the large nanoindentation simulation. We test our methodology by calculating nanohardness, as a function of load and crystallographic orientation of the surface, of diamond, AlN, SiC, BCN, and Si and comparing it to the calibrated values of the macro- and microhardness.

Amorphous MoSO/-BNO Nanohybrids: Synthesis and Dye Photodegradation.

Molybdenum sulfide is a very promising catalyst for the photodegradation of organic pollutants in water. Its photocatalytic activity arises from unsaturated sulfur bonds, and it increases with the introduction of structural defects and/or oxygen substitutions. Amorphous molybdenum sulfide (-MoSO) with oxygen substitutions has many active sites, which create favorable conditions for enhanced catalytic activity.

Semiconductor nanochannels in metallic carbon nanotubes by thermomechanical chirality alteration.

Carbon nanotubes have a helical structure wherein the chirality determines whether they are metallic or semiconducting. Using in situ transmission electron microscopy, we applied heating and mechanical strain to alter the local chirality and thereby control the electronic properties of individual single-wall carbon nanotubes. A transition trend toward a larger chiral angle region was observed and explained in terms of orientation-dependent dislocation formation energy.

A DFT study on magnetic interfaces based on half-metallic CoFeGeGa with h-BN and MoSe monolayers.

A large variety of recently predicted and synthesized 2D materials significantly broaden the capabilities of magnetic interface design for spintronic applications. Their diverse structural and electronic properties allow fine adjustment of interfacial interactions between the electrode and spacer materials providing robust and effective spin transport. Based on recent experimental results, here we present a theoretical study of novel interfaces formed by a half-metallic CoFeGeGa (CFGG) substrate with h-BN or MoSe monolayer on its top.

Two-Dimensional Diamond-Diamane: Current State and Further Prospects.

Two-dimensional diamond, or diamane, is an ultrathin film with unique physical properties that combine the record values of the bulk crystal with the exciting features caused by the nanoscale nature. At the current stage of research, the diamane properties are mostly studied theoretically, and the main experimental efforts are directed at its synthesis. The latter is the trickiest problem since traditional methods involving the application of high pressure are not fully suitable due to the influence of surface effects.