Search Results (25)

Graphene is a modern material with unique properties which is used to create prototypes of gas, mechanical, and biological sensors. The non-covalent functionalization of graphene expands the scope of its practical application. Therefore, graphene-based van der Waals heterostructures are used to create various electronic devices. Thus, for a better understanding of physicochemical properties of graphene-based materials, it is necessary to study the role of van der Waals interactions in such structures in greater detail. This paper presents a study of the electron properties of structures such as graphene/benzene, graphene/graphene, and graphene/hBN within the framework of density functional theory with van der Waals interactions. Topological properties of electron densities were studied using the quantum theory of atoms in molecules. Visualization of the regions of van der Waals interaction and calculation of the charges of the regions describing the van der Waals interaction were possible due to the use of the reduced density gradient function. A comparison of the characteristics of the critical points of the electron density of graphene/graphene and graphene/hBN van der Waals heterostructures was also performed, which allowed us to compare the parameters of van der Waals interactions between different configurations of the systems under study. Full article

Based on the angular spectrum expansion, the spatial Goos–Hänchen (GH) shift of an Airy vortex beam reflected from the graphene/hexagonal boron nitride (hBN) heterostructure is investigated analytically. The influences of graphene/hBN heterostructure parameters and incident Airy vortex beam parameters on the spatial GH shifts are analyzed in detail. It is found that the position of the Brewster angle mainly depends on the relaxation time and hBN thickness of the heterostructure, and the magnitude and sign of GH shifts at a certain Brewster angle can be controlled effectively by tuning the Fermi energy and layer numbers of graphene. Moreover, the variation in the GH shifts with the Fermi energy and hBN thickness exhibits hyperbolicity at the Brewster angle, similar to the variation in the permittivity of hBN. For the incident beam, the vortex position and the decay factor in the x direction have a great effect on the GH shifts. The influence of the vortex position on the GH shift is related to the distance of the vortex position from the origin point. The magnitude of the GH shift decreases as the decay factor in the x direction increases, and a large GH shift can be obtained by adjusting the decay factor in the x direction. Finally, the application of spatial GH shift in sensing is discussed. The results presented here may provide some supports to the design of optical switch and optical sensor. Full article

The advent of two-dimensional (2D) materials and their capacity to form van der Waals (vdW) heterostructures has revolutionized numerous scientific fields, including electronics, optoelectronics, and energy storage. This paper presents a comprehensive investigation of bandgap engineering and band structure prediction in 2D vdW heterostructures utilizing density functional theory (DFT). By combining various 2D materials, such as graphene, hexagonal boron nitride (h-BN), transition metal dichalcogenides, and blue phosphorus, these heterostructures exhibit tailored properties that surpass those of individual components. Bandgap engineering represents an effective approach to addressing the limitations inherent in material properties, thereby providing enhanced functionalities for a range of applications, including transistors, photodetectors, and solar cells. Furthermore, this study discusses the current limitations and challenges associated with bandgap engineering in 2D heterostructures and highlights future prospects aimed at unlocking their full potential for advanced technological applications. Full article

A heterostructure film composed of graphene and h-BN has superlubricity and long-term anti-corrosion performance, enabling its potential applications as low-friction and corrosion-resistant coatings, especially in marine environments. However, the grain boundaries (GBs) and point defects formed during the preparation process may significantly affect the performance of the film. In this study, the tribological properties and wear mechanism of heterostructure films with different GB misorientation angles were studied with the molecular dynamics method. The results show that the high-energy atoms generated by strain-induced hillocks along the GBs can lead to stress concentration, thus deteriorating the wear resistance of the heterostructure film. Furthermore, point defects occurring on high-energy atoms can significantly alleviate the stress concentration, which is conducive to improving the wear resistance of the film. This study sheds light on improving the tribological characteristics of a graphene/h-BN heterostructure coating by properly controlling its microstructure. Full article

Recently, two-dimensional (2D) materials and their heterostructures have been recognized as the foundation for future brain-like neuromorphic computing devices. Two-dimensional materials possess unique characteristics such as near-atomic thickness, dangling-bond-free surfaces, and excellent mechanical properties. These features, which traditional electronic materials cannot achieve, hold great promise for high-performance neuromorphic computing devices with the advantages of high energy efficiency and integration density. This article provides a comprehensive overview of various 2D materials, including graphene, transition metal dichalcogenides (TMDs), hexagonal boron nitride (h-BN), and black phosphorus (BP), for neuromorphic computing applications. The potential of these materials in neuromorphic computing is discussed from the perspectives of material properties, growth methods, and device operation principles. Full article

Recently, the emergent two-dimensional (2D) ferroelectric materials have provided new possibilities for the miniaturization of ferroelectric systems and the integration of novel 2D nano-electronic devices. In addition to the intrinsic ferroelectrics exfoliated from bulk, 2D heterostructures hybridized from electrically non-polarized van der Waals (vdW) materials have also been proven to be a promising platform for the construction of ferroelectricity. Here, we report 30° twisted bilayer–graphene (TBLG) incommensurate moiré superlattice encapsulated by hexagonal boron nitride (h-BN), in which robust hysteretic resistance was detected at the top interface between h-BN and the TBLG from room temperature down to 40 $\mathrm{mK}$. The hysteretic phenomenon can be understood by the extra carrier induced by the interfacial 2D ferroelectric polarization, which is estimated to be around $0.7 \mathrm{pC}/\mathrm{m}$. Our work of interfacial ferroelectric heterostructure achieved by a TBLG/h-BN hybrid system expands the 2D ferroelectric families and opens more possibilities for future coupling the ferroelectricity with rich electronic and optical properties in vdW twistronic devices. Full article

Two-dimensional (2D) materials and their vertically stacked heterostructures have attracted much attention due to their novel optical properties and strong light-matter interactions in the infrared. Here, we present a theoretical study of the near-field thermal radiation of 2D vdW heterostructures vertically stacked of graphene and monolayer polar material (2D hBN as an example). An asymmetric Fano line shape is observed in its near-field thermal radiation spectrum, which is attributed to the interference between the narrowband discrete state (the phonon polaritons in 2D hBN) and a broadband continuum state (the plasmons in graphene), as verified by the coupled oscillator model. In addition, we show that 2D van der Waals heterostructures can achieve nearly the same high radiative heat flux as graphene but with markedly different spectral distributions, especially at high chemical potentials. By tuning the chemical potential of graphene, we can actively control the radiative heat flux of 2D van der Waals heterostructures and manipulate the radiative spectrum, such as the transition from Fano resonance to electromagnetic-induced transparency (EIT). Our results reveal the rich physics and demonstrate the potential of 2D vdW heterostructures for applications in nanoscale thermal management and energy conversion. Full article

Since the discovery of the quantum Hall effect in 1980, it has attracted intense interest in condensed matter physics and has led to a new type of metrological standard by utilizing the resistance quantum. Graphene, a true two-dimensional electron gas material, has demonstrated the half-integer quantum Hall effect and composite-fermion fractional quantum Hall effect due to its unique massless Dirac fermions and ultra-high carrier mobility. Here, we use a monolayer graphene encapsulated with hexagonal boron nitride and few-layer graphite to fabricate micrometer-scale graphene Hall devices. The application of a graphite gate electrode significantly screens the phonon scattering from a conventional SiO₂/Si substrate, and thus enhances the carrier mobility of graphene. At a low temperature, the carrier mobility of graphene devices can reach 3 × 10⁵ cm²/V·s, and at room temperature, the carrier mobility can still exceed 1 × 10⁵ cm²/V·s, which is very helpful for the development of high-temperature quantum Hall effects under moderate magnetic fields. At a low temperature of 1.6 K, a series of half-integer quantum Hall plateaus are well-observed in graphene with a magnetic field of 1 T. More importantly, the ν = ±2 quantum Hall plateau clearly persists up to 150 K with only a few-tesla magnetic field. These findings show that graphite-gated high-mobility graphene devices hold great potential for high-sensitivity Hall sensors and resistance metrology standards for the new Système International d’unités. Full article

To employ graphene’s rapid conduction in 2D devices, a heterostructure with a broad bandgap dielectric that is free of traps is required. Within this paradigm, h-BN is a good candidate because of its graphene-like structure and ultrawide bandgap. We show how to make such a heterostructure by irradiating alternating layers of a-C and a-BN film with a nanosecond excimer laser, melting and zone-refining constituent layers in the process. With Raman spectroscopy and ToF-SIMS analyses, we demonstrate this localized zone-refining into phase-pure h-BN and rGO films with distinct Raman vibrational modes and SIMS profile flattening after laser irradiation. Furthermore, in comparing laser-irradiated rGO-Si MS and rGO/h-BN/Si MIS diodes, the MIS diodes exhibit an increased turn-on voltage (4.4 V) and low leakage current. The MIS diode I-V characteristics reveal direct tunneling conduction under low bias and Fowler-Nordheim tunneling in the high-voltage regime, turning the MIS diode ON with improved rectification and current flow. This study sheds light on the nonequilibrium approaches to engineering h-BN and graphene heterostructures for ultrathin field effect transistor device development. Full article

Since the successful separation of graphene from its bulk counterpart, two-dimensional (2D) layered materials have become the focus of research for their exceptional properties. The layered hexagonal boron nitride (h-BN), for instance, offers good lubricity, electrical insulation, corrosion resistance, and chemical stability. In recent years, the wide-band-gap layered h-BN has been recognized for its broad application prospects in neutron detection and quantum information processing. In addition, it has become very important in the field of 2D crystals and van der Waals heterostructures due to its versatility as a substrate, encapsulation layer, and a tunneling barrier layer for various device applications. However, due to the poor adhesion between h-BN and substrate and its high preparation temperature, it is very difficult to prepare large-area and denseh-BN films. Therefore, the controllable synthesis of h-BN films has been the focus of research in recent years. In this paper, the preparation methods and applications of h-BN films on III–V compounds are systematically summarized, and the prospects are discussed. Full article

In this work, we study the structural and electronic properties of boron nitride bilayers sandwiched between graphene sheets. Different stacking, twist angles, doping, as well as an applied external gate voltage, are reported to induce important changes in the electronic band structure near the Fermi level. Small electronic lateral gaps of the order of few meV can appear near the Dirac points K. We further discuss how the bandstructures change applying a perpendicular external electric field, showing how its application lifts the degeneracy of the Dirac cones and, in the twisted case, moves their crossing points away from the Fermi energy. Then, we consider the possibility of co-doping, in an asymmetric way, the two external graphene layers. This is a situation that could be realized in heterostructures deposited on a substrate. We show that the co-doping acts as an effective external electric field, breaking the Dirac cones degeneracy. Finally, our work demonstrates how, by playing with field strength and p-n co-doping, it is possible to tune the small lateral gaps, pointing towards a possible application of C/BN sandwich structures as nano-optical terahertz devices. Full article

Based on nonequilibrium molecular dynamics (NEMD) and nonequilibrium Green’s function simulations, the interfacial thermal conductance (ITC) of graphene/h-BN in-plane heterostructures with near-interface defects (monovacancy defects, 585 and f5f7 double-vacancy defects) is studied. Compared to pristine graphene/h-BN, all near-interface defects reduce the ITC of graphene/h-BN. However, differences in defective structures and the wrinkles induced by the defects cause significant discrepancies in heat transfer for defective graphene/h-BN. The stronger phonon scattering and phonon localization caused by the wider cross-section in defects and the larger wrinkles result in the double-vacancy defects having stronger energy hindrance effects than the monovacancy defects. In addition, the approximate cross-sections and wrinkles induced by the 585 and f5f7 double-vacancy defects provide approximate heat hindrance capability. The phonon transmission and vibrational density of states (VDOS) further confirm the above results. The double-vacancy defects in the near-interface region have lower low-frequency phonon transmission and VDOS values than the monovacancy defects, while the 585 and f5f7 double-vacancy defects have similar low-frequency phonon transmission and VDOS values at the near-interface region. This study provides physical insight into the thermal transport mechanisms in graphene/h-BN in-plane heterostructures with near-interface defects and provides design guidelines for related devices. Full article

In this paper, we build a numerical p-n Si/GaAs heterojunction model using quantum-mechanical tunneling theory with various quantum tunneling interfacial materials including two-dimensional (2D) materials such as hexagonal boron nitride (h-BN) and graphene, and ALD-enabled oxide materials such as HfO₂, Al₂O₃, and SiO₂. Their tunneling efficiencies and tunneling currents with different thicknesses were systematically calculated and compared. Multiphysics modeling was used with the aforementioned tunneling interfacial materials to analyze changes in the strain under different temperature conditions. Considering the transport properties and thermal-induced strain analysis, Al₂O₃, among three oxide materials, and graphene in 2D materials are favorable material choices that offer the highest heterojunction quality. Overall, our results offer a viable route in guiding the selection of quantum tunneling materials for a myriad of possible combinations of new heterostructures that can be obtained with an ultra-thin tunneling intermediate layer. Full article

In this paper, a bimetallic sensor based on graphene-hexagonal boron nitride (hBN) heterostructure is theoretically studied. The sensitivity of the sensor can be improved by enhancing the Goos–Hänchen (GH) shift in the infrared band. The theoretical results show that adjusting the Fermi level, the number of graphene layers and the thickness of hBN, a GH shift of 182.09 λ can be obtained. Moreover, sensitivity of 2.02 × 10⁵ λ/RIU can be achieved with monolayer graphene, the thickness of gold layer is 20 nm, silver layer is 15 nm, and the hBN thickness of 492 nm. This heterogeneous infrared sensor has the advantages of high sensitivity and strong stability. The research results will provide a theoretical basis for the design of a new high-sensitivity infrared band sensor. Full article

A photodetector converts optical signals to detectable electrical signals. Lately, self-powered photodetectors have been widely studied because of their advantages in device miniaturization and low power consumption, which make them preferable in various applications, especially those related to green technology and flexible electronics. Since self-powered photodetectors do not have an external power supply at zero bias, it is important to ensure that the built-in potential in the device produces a sufficiently thick depletion region that efficiently sweeps the carriers across the junction, resulting in detectable electrical signals even at very low-optical power signals. Therefore, two-dimensional (2D) materials are explored as an alternative to silicon-based active regions in the photodetector. In addition, plasmonic effects coupled with self-powered photodetectors will further enhance light absorption and scattering, which contribute to the improvement of the device’s photocurrent generation. Hence, this review focuses on the employment of 2D materials such as graphene and molybdenum disulfide (MoS₂) with the insertion of hexagonal boron nitride (h-BN) and plasmonic nanoparticles. All these approaches have shown performance improvement of photodetectors for self-powering applications. A comprehensive analysis encompassing 2D material characterization, theoretical and numerical modelling, device physics, fabrication and characterization of photodetectors with graphene/MoS₂ and graphene/h-BN/MoS₂ heterostructures with plasmonic effect is presented with potential leads to new research opportunities. Full article