2D Materials Research Articles

Magnetoelectric Tuning of 2D Ferromagnetism in 1T-CrTe2 through In2Se3 Substrate.

Electric field control of two-dimensional (2D) materials with optimized magnetic properties is not only of scientific interest but also of technological importance in terms of the functionality of various nanoscale devices. Here, we report the multiferroic control of the 2D ferromagnetism in 1T-CrTe2 monolayer through a ferroelectric In2Se3 sublayer. Our results reveal the effect of polarization switching on the electronic structures and magnetic properties of 1T-CrTe2/In2Se3 heterostructures, enabling effective manipulation of their magnetic anisotropy energy (MAE) and magnetization orientation. Additionally, we also demonstrate the strong dependence of their MAE and switching effect on the external strain and surface hydrogenation. Notably, polarization switching exhibits a reversal modification in the hydrogenated multiferroic structures. These tunable behaviors are primarily attributed to the alteration of p-orbitals near the Fermi level of the interfacial Te atoms due to magnetoelectric coupling. Our findings suggest the potential of 1T-CrTe2/In2Se3 heterojunctions for the practical application of 2D multiferroic spintronic devices.

Tailored Nanoarchitectures: MoS2/Graphene and MoS2/Graphene Oxide thin Films via Liquid-Liquid Interfacial Route.

The nanostructured assembly of different two-dimensional (2D) materials in specific organization is crucial for developing materials with synergistic properties. In this study, we present a general methodology to prepare thin, transparent and self-assembled films of 2D/2D composites based on molybdenum sulfide (MoS2)/graphene oxide (GO) or MoS2/reduced graphene oxide (rGO), through the liquid/liquid interfacial route. Different nanoarchitectures are obtained by changing simple experimental parameters during the thin film preparation steps. The films were characterized by UV-Vis and Raman spectroscopy, scanning electron microscopy and cyclic voltammetry, evidencing that the experimental route used plays a role in the organization and properties of the assembled nanoarchitectures. Likewise, nanostructures of MoS2/GO and MoS2/rGO prepared through the same route have different organizations due to the different interactions between the materials. This showcases the potential of the technique to prepare tailored nanoarchitectures with specific properties for various applications, paving the way for innovative nanotechnology and materials science applications.

Transition metal carbo chalcogenides: A novel family of 2D solid lubricants

Two-dimensional (2D) layered materials such as transition metal dichalcogenides (e.g., MoS2, WS2) and MXenes (e.g., Ti3C2Tx), as well as hybrids of these materials are the focus of current research in solid lubrication due to their outstanding performance. Transition metal carbo-chalcogenides (TMCCs), consisting of an MXene core and a TMD-like surface, represent an inherent combination of TMDs and MXenes without the need to construct hybrids out of the individual layers. Due to their layered structure and surface chemistry, favorable tribological properties can be expected from these novel materials. Here, multilayer Ta2S2C and Nb2S2C TMCCs are deposited solely as a powder onto a steel substrate and their tribological properties under linear sliding against different counterbodies, i.e., Al2O3, SiC, 100Cr6, and polytetrafluoroethylene (PTFE) are discussed. Advanced materials characterization techniques are used to detect the presence of TMCCs inside the wear tracks and to reveal their 2D structure within the tribofilm. Finally, density functional theory (DFT) simulations are used to unravel the easy shearability of TMCCs at the nanoscale. The results demonstrate the great potential of this new 2D material family, which also offers many possibilities for defined tuning of the solid-solid interface.

High Temperature Phonon-Mediated Superconductivity with T c above 100 K in monolayer Na(BC)2 and K(BC)2

Abstract Two-dimensional (2D) materials have demonstrated promising prospects owing to their distinctive electronic properties and exceptional mechanical properties. Among them, 2D superconductors with T c above the boiling point of liquid nitrogen (77 K) will exhibit tremendous applicable value in the future. Here, we design two 2D superconductors Na(BC)2 and K(BC)2 with MgB2-like structure, which are theoretically predicted to host T c as high as 99 and 102 K, respectively. The origin of such high T c is ascribed to the presence of two σ-bonding bands and van Hove singularity at the Fermi level. Furthermore, the T c of Na(BC)2 is boosted up to 153 K with a biaxial strain of 5%, which set a new record among 2D superconductors. The predictions of Na(BC)2 and K(BC)2 open the door to explore 2D high temperature superconductors and provide a potential future for developing new applications in 2D materials.

2D Materials for Potable Water Application: Basic Nanoarchitectonics and Recent Progresses.

Water polluted by toxic chemicals due to waste from chemical/pharmaceuticals and harmful microbes such as E. Coli bacteria causes several fatal diseases; and therefore, water filtration is crucial for accessing clean and safe water necessary for good health. Conventional water filtration technologies include activated carbon filters, reverse osmosis, and ultrafiltration. However, they face several challenges, including high energy consumption, fouling, limited selectivity, inefficiencies in removing certain contaminants, dimensional control of pores, and structural/chemical changes at higher thermal conditions and upon prolonged usage of water filter. Recently, the advent of 2D materials such as graphene, BN, MoS2, MXenes, and so on opens new avenues for advanced water filtration systems. This review delves into the nanoarchitectonics of 2D materials for water filtration applications. The current state of water filtration technologies is explored, the inherent challenges they face are outlines, and the unique properties and advantages of 2D materials are highlighted. Furthermore, the scope of this review is discussed, which encompasses the synthesis, characterization, and application of various 2D materials in water filtration, providing insights into future research directions and potential industrial applications.

Electrically Conductive Nanomaterials: Transformative Applications in Biomedical Engineering - A Review.

In recent years, significant advancements in nanotechnology have improved the various disciplines of scientific fields. Nanomaterials, like, carbon-based (carbon nanotubes, graphene), metallic, metal oxides, conductive polymers, and 2D materials (MXenes) exhibit exceptional electrical conductivity, mechanical strength, flexibility, thermal property and chemical stability. These materials hold significant capability in transforming material science and biomedical engineering by enabling the creation of more efficient, miniaturized, and versatile devices. The indulgence of nanotechnology with conductive materials in biological fields promises a transformative innovation across various industries, from bioelectronics to environmental regulations. The conductivity of nanomaterials with a suitable size and shape exhibits unique characteristics, which provides a platform for realization in bioelectronics as biosensors, tissue engineering, wound healing, and drug delivery systems. It can be explored for state-of-the-art cardiac, skeletal, nerve, and bone scaffold fabrication while highlighting their proof-of-concept in the development of biosensing probes and medical imaging. This review paper highlights the significance and application of the conductive nanomaterials associated with conductivity and their contribution towards a new perspective in improving the healthcare system globally.&#xD.

Solid-State High Harmonic Generation in Common Large Bandgap Substrate Materials.

Solid-state high harmonic generation (sHHG) spectroscopy is an emerging ultrafast technique for studying key material properties such as electronic structure at and away from equilibrium. sHHG anisotropy measurements, where sHHG spectra are recorded depending on the driving electric field relative to the crystal lattice, have become a powerful tool for studying crystal symmetries. Previous works on two-dimensional materials and other quantum materials have often used substrate-supported samples, assuming that all sHHG signals originate from the sample due to the relatively large bandgap of the substrate. While this assumption is generally reasonable, we show that some sHHG emissions from commonly used substrates can occur at moderate intensities of the sHHG driving field. In addition, we show that it is essential to consider not only the sHHG yield from a substrate but also its angular dependence relative to the material of interest. Specifically, in this work, the power-dependent and polarization angle-resolved sHHG emissions of fused silica, calcium fluoride, diamond, and sapphire of two different crystalline qualities and orientations are compared using a mid-infrared (MIR) driving field. This empirical characterization aims to guide the substrate selection for sHHG studies of novel materials to minimize the misattribution and interference of substrate-related sHHG emissions, which opens the possibility to study a wider array of materials.

Design of spintronic devices based on adjustable half-metallicity induced by electric field in A-type antiferromagnetic bilayer NiI2

Exploring the attainment of half-metallic behavior in two-dimensional (2D) materials through external perturbations is a popular area of current research. In this work, we demonstrate, using first-principles calculations, that bilayer NiI2 (bi-NiI2) is an A-type antiferromagnetic (AFM) semiconductor with an indirect bandgap of 0.86 eV, with the most stable configuration being the AB stacking mode. Upon the application of a vertical electric field, the material transforms from its original semiconducting state into a half-metallic state. Moreover, the spin polarization reverses its orientation whenever the direction of the electric field is altered. This intriguing behavior has inspired us to design a spintronic device based on the A-type AFM bi-NiI2. By employing nonequilibrium Green's function (NEGF) combined with density functional theory (DFT) calculations, we find that the device achieves ON/OFF switching by applying vertical electric fields in parallel or anti-parallel configurations in the two leads. The device displays 100 % spin polarization in the parallel configuration (PC) scenario, driven by bias voltage or temperature differences. Utilizing either the parallel or antiparallel configuration (APC) for ON/OFF switching enables the device to exhibit tunneling magnetoresistance (TMR) of up to 1.45 × 1010 % due to bias voltage and up to 1011 % thermal TMR arising from temperature differences between the leads. These findings highlight the potential of NiI2 and A-type AFM bilayers in the design of spintronic devices.

Exploring Mo2B MBene as a high-capacity anode material for multi-valent metal-ion batteries: Insights from first-principles calculations

A novel class of 2-dimensional (2D) materials, known as MBenes, has recently been proposed as a promising candidate for electrode applications in metal-ion batteries due to their high conductivity and rich chemistry. In this study, we present a computational investigation into the potential of Mo2B MBene as an anode material for Na-, Mg-, and Al-ion batteries. Using density functional theory (DFT) calculations, we examine the structural, electronic, and electrochemical properties of both H- and T-type configurations of Mo2B. Our findings reveal that Mo2B exhibits metallic behavior and excellent metal adsorption characteristics, with Al exhibiting the strongest binding affinity, followed by Mg and Na. This strong binding, especially with Al, although results in higher diffusion barriers, it enhances layer adsorption leading to increased theoretical capacity. The calculated maximum capacities are significant, with Al (1323 mAh g−1) showing the highest capacity, followed by Mg (923 mAh g−1) and Na (216 mAh g−1). Additionally, the open-circuit voltage (OCV) for all metals ranges between 0.1 and 1.0 V, suggesting the suitability of Mo2B MBene as an anode material that minimizes dendrite formation risks. These results indicate the potential of Mo2B for high-performance multi-valence ion batteries, with particular promise for Al-ion batteries due to their superior capacity. Furthermore, we propose that strain engineering could optimize Mo2B for enhanced performance in Na-ion batteries. Overall, this study suggests Mo2B MBene as a highly promising anode material for next-generation metal-ion batteries, offering significant advantages in terms of capacity, voltage, and safety. Our findings provide insights that could be used for further experimental design of Mo2B-based anodes for energy storage technologies.

CoFe Oxides-Coated 2D Black Phosphorus for Flame-Retardant Nanocoatings with Tunable Mechanical Strength and Efficient Elimination of Toxic Gases.

2D black phosphorus (BP) degrades irreversibly into phosphate compounds under ambient conditions, which limits its application in a variety of fields. In this study, by coating amorphous ferric-cobalt oxides (CoFeO)on BP nanosheets, a multifunctional CoFeO@2D BP is successfully developed that effectively inhibited combustion and catalyzed CO oxidation to eliminate toxic gases. Strong affinity between transition-metal cations and BP allowed the uniform growth of amorphous ferric‒cobalt oxides on the BP surface, which effectively prevented the spontaneous degradation of 2D BP. By combining CoFeO@2D BP with gelatin and kosmotropic salts, the as-obtained nanocoatings are used for surface treatment of flammable polyurethane foam (PU). Kosmotropic ions induced strong hydrophobic interactions and bundling within the gelatin chains which significantly enhanced the mechanical performance of the PU. BP accelerates the carbonization of gelatin to inhibit the combustion of PU, and CoFe oxides, which act as true active centers to accelerate the oxidation of CO, effectively inhibiting the production of harmful gas. The release rate of CO decreases by 73% and the limiting oxygen index (LOI) increases from 17% to ≈32% during PU combustion. The developed novel 2D material opens the way for multifunctional coatings with integrated durability, flame retardancy, and high smoke suppression efficiency.

2D Material Sensors with Light Excitation

2D Material Sensors with Light Excitation

Enhancing Corrosion Resistance and Tribomechanical Characteristics of Powder Coatings via the Integration of Functionalized HF‐Free MXene Reinforcements

AbstractMXene, a new generation of 2D materials, is gaining attention for anti‐corrosion applications due to its large surface area, electrical conductivity, and self‐healing properties. Its low shear strength and self‐lubricating properties enhance wear resistance. Herein, silane functionalized HF‐Free MXene nanosheets “MS‐f_Ti3C2 and MS‐f_Ti3C2@Zn” synthesized through the molten salt method are integrated into the environmentally sustainable powder coating. The electrochemical tests indicate that a powder coating containing a well‐dispersed 1.5 wt.% f_Ti3C2@Zn nanosheets exhibit the highest polarization resistance (1.1 × 106 Ω cm2), lowest Icorr (2.15 × 10−8 A cm−2) and superior anti‐corrosion performance after 42 days of immersion in 3.5 wt.% NaCl. The polarization resistance (Rp) and corrosion current (Icorr) of the untreated coating are measured to be 1.6 × 103 Ω cm2 and 1.6 × 10−5A cm−2, respectively. In addition, the incorporation of MXene material reduces crack development and spalling, and enhances wear resistance during the friction process. The loading of 1.5 wt.% f_Ti3C2@Zn reduces the coefficient of friction (COF) and improves wear rate by 45% and 51%, respectively Analysis of composites via nanoindentation reveals such enhanced mechanical properties. This study presents an effective and sustainable approach to improve the mechanical, tribological, and long‐term corrosion protection of organic coating, thereby exhibiting great potential for using HF‐Free MXene as a multipurpose additive.

Advancing the utilization of 2D materials for electrocatalytic seawater splitting

AbstractApplying catalysts for electrochemical energy conversion holds great promise for developing clean and sustainable energy sources. One of the main advantages of electrocatalysis is its ability to reduce conversion energy loss significantly. However, the wide application of electrocatalysts in these conversion processes has been hindered by poor catalytic performance and limited resources of catalyst materials. To overcome these challenges, researchers have turned to two‐dimensional (2D) materials, which possess large specific surface areas and can easily be engineered to have desirable electronic structures, making them promising candidates for high‐performance electrocatalysis in various reactions. This comprehensive review focuses on engineering novel 2D material‐based electrocatalysts and their application to seawater splitting. The review briefly introduces the mechanism of seawater splitting and the primary challenges of 2D materials. Then, we highlight the unique advantages and regulating strategies for seawater electrolysis based on recent advancements. We also review various 2D catalyst families for direct seawater splitting and delve into the physicochemical properties of these catalysts to provide valuable insights. Finally, we outline the vital future challenges and discuss the perspectives on seawater electrolysis. This review provides valuable insights for the rational design and development of cutting‐edge 2D material electrocatalysts for seawater‐electrolysis applications.image

Monolithic 3D integration with 2D materials

Monolithic 3D integration with 2D materials

Inert Liquid Exfoliation and Langmuir-Type Thin Film Deposition of Semimetallic Metal Diborides.

Graphite is one of only a few layered materials that can be exfoliated into nanosheets with semimetallic properties, which limits the applications of nanosheet-based electrodes to material combinations compatible with the work function of graphene. It is therefore important to identify additional metallic or semimetallic two-dimensional (2D) nanomaterials that can be processed in solution for scalable fabrication of printed electronic devices. Metal diborides represent a family of layered non-van der Waals crystals with semimetallic properties for all nanosheet thicknesses. While previous reports show that the exfoliated nanomaterial is prone to oxidation, we demonstrate a readily accessible inert exfoliation process to produce quasi-2D nanoplatelets with intrinsic material properties. For this purpose, we demonstrate the exfoliation of three representative metal diborides (MgB2, CrB2, and ZrB2) under inert conditions. Nanomaterial is characterized using a combination of transmission electron microscopy, scanning electron microscopy, atomic force microscopy, IR, and UV-vis measurements, with only minimal oxidation indicated postprocessing. By depositing the pristine metal diboride nanoplatelets as thin films using a Langmuir-type deposition technique, the ohmic behavior of the networks is validated. Furthermore, the material decomposition is studied by using a combination of electrical and optical measurements after controlled exposure to ambient conditions. Finally, we report an efficient, low-cost approach for sample encapsulation to protect the nanomaterials from oxidation. This is used to demonstrate low-gauge factor strain sensors, confirming metal diboride nanosheets as a suitable alternative to graphene for electrode materials in printed electronics.

High performance self-driven broadband photodetector for polarized imaging based on novel ZrS3/ReSe2 van der Waals heterojunction

The distinctive characteristics of anisotropic two-dimensional (2D) materials, including in-plane anisotropy of optical absorption and carrier mobility, render them exceptionally suitable for application in the field of polarization detection and as a novel platform for the polarization imaging. Meanwhile, the consolidation of diverse functionalities within a single photodetector is highly anticipated to meet the demands of some special scenarios. Herein, a novel ZrS3/ReSe2 van der Waals (vdWs) heterostructure device was successfully constructed to realize polarization-sensitive, self-powered, and broadband photodetection and imaging. Owing to the built-in electric field of the type-II band alignment within the heterojunction, the device achieves a self-powered photoresponse ranging from 300 to 980 nm, an ultralow dark currentt ∼1 pA, and a commendable rise/decay time of 0.35/0.28 ms. Additionally, it has been demonstrated that the self-driven photodetector possesses a polarization-sensitivity with a notable anisotropic ratio about 2.02 (1.98) under 490 nm (980 nm) light illumination with zero bias, coupled with an excellent repeatability and stability. Furthermore, we also demonstrate the polarization imaging capabilities of the device in visible and near-infrared spectrum, realizing a contrast-enhanced degree of linear polarization imaging. This work paves a new platform to develop heterojunction photodetectors for high performance polarization-sensitive photodetection and next-generation polarized imaging.

Modification Strategies and Prospects for Enhancing the Stability of Black Phosphorus.

Black phosphorus is a two-dimensional layer material with promising applications due to its many excellent physicochemical properties, including high carrier mobility, ambipolar field effect and unusual in-plane anisotropy. Currently, BP has been widely used in biomedical engineering, photocatalysis, semiconductor devices, and energy storage electrode materials. However, the unique structure of BP makes it highly chemically active, leading to its easy oxidation and degradation in air, which limits its practical applications. Recently, researchers have proposed a number of initiatives that can address the environmental instability of BP, and the application of these physical and chemical passivation techniques can effectively enhance the environmental stability of BP, including four modification methods: covalent functionalization, non-covalent functionalization, surface coordination, physical encapsulation and edge passivation. This review highlights the mechanisms of the above modification techniques in addressing the severe instability of BP in different application scenarios, as well as the advantages and disadvantages of each method. This review can provide guidance for more researchers in studying the marvellous properties of BP and accelerate the practical application of BP in different fields.

Theoretical investigations of two-dimensional intrinsic magnets derived from transition-metal borides M3B4 (M = Cr, Mn, and Fe)

ABSTRACT Two-dimensional (2D) magnetic materials with high critical temperatures (T C ) and robust magnetic anisotropy energies (MAE) hold significant potential for spintronic applications. However, most of 2D magnetic materials are derived from the van der Waals (vdW) layered bulks, which greatly limits the synthesis of 2D magnetic materials. Here, 2D M3B4 (M = Cr, Mn, and Fe; B = Boron), derived from hexagonal and orthorhombic M3AlB4 phases by selectively etching Al layers, was studied for its structural stability, electronic structure, and magnetic properties. By utilizing ab initio calculations and Monte Carlo simulations, we found that the orthorhombic Cr3B4 shows ferromagnetic (FM) metal and possesses an in-plane magnetic easy axis, while the remaining hexagonal and orthorhombic M3B4 structures exhibit antiferromagnetic (AFM) metals with a magnetic easy axis which is perpendicular to the two-dimensional plane. The critical temperatures of these 2D M3B4 structures are found to be above the 130 K. Notably, the ort-Mn3B4 possesses highest T C (~600 K) and strongest MAE (~220 µeV/atom) among these borides-based 2D magnetic materials. Our findings reveal that the 2D M3B4 compounds exhibit much better resistance to deformation compared to M2B2 MBenes and other 2D magnetic materials. The combination of high critical temperature, robust MAE, and excellent mechanical properties makes 2D Mn3B4 monolayer exhibits a favorable potential for spintronic applications. Our research also sheds light on the magnetic coupling mechanism of 2D M3B4, providing valuable insights into its fundamental characteristics.

Quantitative pre-intercalation of alkali metal ions enables precisely modulating Li+ storage of MXenes

Ion intercalation is crucial for improving energy storage performance, but controlling the content of intercalated ions is challenging for two-dimensional (2D) electrode materials although it enables clarifying individual intercalation behaviors and thereof pinpointing the intercalation mechanism. Herein, the equal‐content alkali metal ions were successfully manipulated to intercalate into Mo2CTx MXene electrodes via an electrochemistry‐driven approach via the anti‐battery principle. Based on a variety of alkali metal ions pre‐intercalation into the Mo2CTx MXene (M+‐Mo2CTx) electrodes, the lithium storage performance was largely improved. Li+‐Mo2CTx electrode exhibits an outstanding capacity of 395.49 mAh g−1 at 200 mA g−1 after 100 cycles due to the enhanced redox activity induced by high-valence Mo and low -F interlayer exposed surface. Besides, the K+‐Mo2CTx electrode delivers excellent rate performance due to faster ion transfer kinetics originating from the pillaring effect of pre-intercalated K+ ions. In a broader sense, our study opens up a new route to accurately improve the electrochemical performance via precisely tuning the content of ions intercalated into 2D intercalation‐type materials.

Polydopamine-based surface coating fabrication on titanium implant by combining a photothermal agent and TiO2 nanosheets for efficient photothermal antibacterial therapy and promoted osteogenic activity

Developing titanium-based dental implants with both excellent antibacterial properties and good osseointegration is crucial for the success of the implant operation and the long-term durability of the implant. In this study, a polydopamine-based coating was created by attaching TiO2 nanosheets-cyanine composites onto the titanium surface, enabling the integration of effective photothermal antibacterial therapy with osseointegration. The exceptional dual-photothermal conversion abilities of polydopamine and cyanine in the coating resulted in outstanding photothermal antibacterial and antibiofilm therapy against four types of bacteria. Furthermore, TiO2 nanosheets promoted the adhesion, proliferation and early osteogenic differentiation of osteoblasts. In an infected dental implant model in rats, the developed coating exhibited potent antibacterial activity and remarkable osteogenic differentiation in the bone, leading to increased bone formation around the implants. This innovative approach, combining photothermal therapy with osteogenic two-dimensional nanomaterials, presents a novel method for surface functionalization of implants to achieve effective antibacterial and osseointegration capabilities.