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We analyze the displacements of the particles of a glass-forming molecular liquid perpendicular to a confining solid surface using extensive molecular dynamics simulations with atomistic models. In the vicinity of an attractive surface, the liquid molecules are trapped. Transient localization of liquid molecules near the surface introduces a relaxation process related to the escape of molecules from the surface into the dynamics of the interfacial liquid layer. To describe this process, we analyze several dynamical observables of the confined liquid. The self-intermediate scattering function and the mean-squared displacement of the particles located in the interfacial layer are dominated by the process of escaping from the surface. This relaxation process is also associated with a strong heterogeneity in the mobility of the interfacial particles. The studied model liquid is hydrogenated methyl methacrylate. For the confining wall, we consider different models, namely a periodic single layer of graphene and a frozen amorphous configuration of the bulk liquid (frozen wall). Near graphene, where the liquid molecules form a layered structure and adopt parallel-to-surface orientation, a clear separation between small-scale movements of the molecules near the surface and the process of escaping from the surface is observed. This is reflected in the three-step relaxation of the interfacial layer. However, near the frozen wall, where the liquid molecules do not have a preferential alignment, a clear three-step relaxation is not seen, even though the dynamical quantities are controlled by the process of escaping from the surface. [ABSTRACT FROM AUTHOR]

We extend the conventional transfer matrix method to include anisotropic features for electron transmission in two-dimensional materials, such as breaking reflection law in pseudo-spin phases and wave vectors, which are not usually considered appropriately in the literature. This method allows us to study transmission properties of anisotropic and stratified electrostatic potential media from a wide range of tunable parameters, which include strain tensor and gating. We apply the extended matrix method to obtain the electron transmission, conductance, and Fano factor for the interplay of a uniaxially strained graphene sheet with external one-dimensional aperiodic potentials. Our results suggest the possibility of visualizing this interplay from conductance measurements. [ABSTRACT FROM AUTHOR]

In this study, we have conducted a comparative analysis of the structural ordering of short oligoetherimide chains (dimers) near the bounding surface, depending on the structure of that surface. In order to clarify the possibility of oligoetherimide ordering along the symmetry axes of graphene, two types of bounding surfaces were considered: graphene, with a regular discrete position of interaction centers (carbon atoms), and a smooth, structureless impermeable wall. The chemical structures of the considered dimers consist of two repeating units of BPDA-P3, ODPA-P3, or aBPDA-P3 thermoplastic polyetherimides. Using all-atom molecular dynamics simulations, the process of structural ordering of the dimers near the surface of the graphene or wall was established. The ODPA-P3 and BPDA-P3 dimers form an ordered state near the graphene surface, while the aBPDA-P3 dimers do not demonstrate structural ordering. The simulation results confirmed that the ordering direction of the BPDA-P3 and ODPA-P3 dimers near the graphene surface is chosen randomly. Comparison of the oligoetherimide structure formed near the attracting wall without a symmetrical location of the interaction centers shows the similarity of the ordering of dimers near the graphene surface and the wall. As in the case of the graphene surface, the ordering of oligoetherimide molecules near the structureless wall demonstrates one direction of ordering. Therefore, we confirmed that the key factor for the onset of ordering is the presence of a confining surface, rather than the symmetrical arrangement of interaction centers in the substrate structure. [ABSTRACT FROM AUTHOR]

Graphene/stainless steel (SUS) structures have received attention as an approach to enhancing the performance of SUS in various applications, such as energy storage and electrochemical devices. Despite many studies, the synthesis of graphene nanostructures with controllable growth orientation on SUS remains challenging. The present work demonstrates the selective synthesis of monolayer to bilayer graphene and vertical graphene (i.e., carbon nanowalls) on SUS by plasma enhanced chemical vapor deposition and also explains the associated growth mechanisms. This study indicates that the graphene nucleation density can be tuned by varying the growth temperature and CH4/H2 ratio during synthesis. It is also evident that graphene growth occurs within a mixed phase of γ-Fe and Fe3C at high temperatures, and a high carbon supply of above 900 °C triggers the transition of growth orientation from planar to vertical. [ABSTRACT FROM AUTHOR]

Controlling the placement of dopants can significantly tailor graphene's properties, but this process is influenced by copper substrates during vapor deposition. Understanding the influence of interfacial atomic structures on the preference for dopant locations is crucial. In this work, we conducted a systematic first-principles study of boron- and nitrogen-doped graphene on copper {111}, considering both sublattice and superlattice configurations. Our calculations revealed that the formation energy is minimized at the top-fccb site (−0.60 eV) for boron and the hcp-fcca site (1.94 eV) for nitrogen, suggesting a possible selective distribution of dopants in both sublattice and superlattice arrangements at the graphene/copper interface. Furthermore, a lower formation energy indicates a higher release of energy during doping, resulting in a stronger interfacial binding. Since formation energy is closely associated with out-of-plane interactions, while in-plane interactions remain relatively stable, these differences offer potential avenues for modifying dopant distribution at graphene/copper interfaces. [ABSTRACT FROM AUTHOR]

Electronic properties of twisted bilayer graphene-like materials can be modified substantially by manipulating twist angles, allowing for many exotic correlated phenomena. However, typical moiré flatbands holding these phenomena only appear with specific small twist angles. Here, we report a class of pressure-tuned superflat bands and localized electronic states over a wide range of twist angles, beyond the physics of twisted bilayer graphene near the Fermi energy. Under the slowly varying lattice distortion approximation, localized electronic states deterministically emerge in isolation at the edge of bulk spectra and are spatially centered around the AA stacked region, governed by macroscopic effective potential wells of moiré superlattices. Moreover, as macroscopic effects, pressure-tuned superflat bands and localized electronic states exhibit excellent stability against small perturbations. Our results suggest that applying pressure in generic twisted bilayer graphene-like materials may evoke widespread electronic correlations, providing opportunities for exploring electronic interactions and superconductivity. [ABSTRACT FROM AUTHOR]

Incorporating heteroatoms into graphene lattice results in enhanced electrical conductivity and electrochemically active sites and has significant importance in developing high-performance supercapacitors. In this study, sulfur and nitrogen co-doped graphene aerogel is synthesized via hydrothermal technique followed by a simple but effective freeze-thawing and ambient pressure drying process (referred to as SN-GA). The process requires low-cost raw materials and cost-effective equipment without the utilization of any special instrument that operates at ultra-low temperatures, under high pressure, or vacuum environment. Ammonium sulfate [(NH4)2SO4] and ethylenediamine are used as a source of sulfur and nitrogen and as a reducing agent. (NH4)2SO4 with different molarities (0, 12, 24, and 36 mM) are used to synthesize four different aerogel samples marked as GA, SN-GA1, SN-GA2, and SN-GA3. The electrode is prepared using an SN-GA2 sample, exhibiting an outstanding specific capacitance of 244 F g−1 at an applied current density of 1 A g−1 with almost 98.5% Coulomb efficiency. Furthermore, based on the SN-GA2 sample, the symmetrical supercapacitor is fabricated, displaying an energy density of 18.14 Wh kg−1 at a power density of 498.4 W kg−1. Hence, SN-GA2 renders a promising material for supercapacitor applications. [ABSTRACT FROM AUTHOR]

Surface acoustic waves (SAWs) on piezoelectric insulators can generate dynamic periodic potentials inside one-dimensional and two-dimensional materials. These periodic potentials have been utilized or proposed for various applications, including acoustoelectric charge pumping. In this study, we investigate acoustoelectric charge pumping in graphene with very low electrostatic disorder. By employing a graphite top gate on boron-nitride-encapsulated graphene, we adjust the graphene carrier concentration over a broad range, enabling us to examine the acoustoelectric signal in both mixed-carrier and single-carrier regimes. We discuss the benefits of h-BN-encapsulated graphene for charge pumping applications and introduce a model that describes the acoustoelectric signal across all carrier concentrations, including at the charge neutrality point. This quantitative model will support future SAW-enabled explorations of phenomena in low-dimensional materials and guide the design of novel SAW sensors. [ABSTRACT FROM AUTHOR]

Exposure to ambient air contaminates the surface of graphene sheets. Contamination may arise from different sources, and its nature alters the frictional behavior of the material. These changes in friction enable the observation of the early stages of contaminants' adsorption in graphene. Using a friction force microscope, we show that molecular adsorption initiates at the edges and mechanical defects in the monolayer. Once the monolayer is covered, the contaminants spread over the additional graphene layers. With this method, we estimate the contamination kinetics. In monolayer graphene, the surface area covered with adsorbed molecules increases with time of air exposure at a rate of 10−14 m2/s, while in bilayer graphene, it is one order of magnitude smaller. Finally, as the contaminants cover the additional graphene layers, friction no longer has a difference concerning the number of graphene layers. [ABSTRACT FROM AUTHOR]

Covalent organic frameworks (COFs) are a class of intriguing materials with tunable electronic and optical properties. In this work, we investigate the electronic and optical properties of COFs embedded with hBN and graphene. Our results demonstrate that graphene integration enhances the ultraviolet and visible light absorption of C 6 N 6 and B 6 O 6 monolayers, while charge transfer in all COF/graphene heterostructures leads to the formation of a built-in electric field. Furthermore, we show that incorporating hBN into B 6 O 6 and C 6 N 6 heterostructures enables control of their bandgap through an applied electric field, resulting in a semiconductor-to-metal transition under moderate electric field strengths. Additionally, B 6 O 6 /hBN exhibits suitable band edge alignment for photocatalytic water splitting. These findings provide valuable insights into the electronic and optical properties of COF heterostructures and their potential applications in electronic and optoelectronic devices. Our study contributes to ongoing efforts in the design and development of novel COF and 2D material heterostructures for future electronic and photonic applications. [ABSTRACT FROM AUTHOR]

We analyze the operation of the hot-electron FET bolometers with the graphene channels (GCs) and the gate barrier layers. Such bolometers use the thermionic emission of the hot electrons heated by incident-modulated THz radiation. The hot electrons transfer from the GC into the metal gate. As the THz detectors, these bolometers can operate at room temperature. We show that the response and ultimate modulation frequency of the GC-FET bolometers are determined by the efficiency of the hot-electron energy transfer to the lattice and the GC side contacts due to the 2DEG lateral thermal conductance. The dependences of these mechanisms on the band structure and geometrical parameters open the way for the GC-FET bolometers optimization, in particular, for the enhancement of the maximum modulation frequency. [ABSTRACT FROM AUTHOR]

We ran molecular dynamics simulations of folded graphene sheets and present a procedure to measure the sliding friction in these systems based on the rate of decay of a damped harmonic oscillator. This procedure allowed us to study the effect that the size, geometry, and the temperature of the graphene sheet had on the ability to propagate the initial fold and the rate at which it settles to a final "fully folded" equilibrium state. We offer simple rationalizations for the relationships between the initial geometries of our simulations and the friction values that emerge. [ABSTRACT FROM AUTHOR]

Applying graphene (Gr) coatings to high-entropy alloys (HEA) is anticipated to enhance their tribological characteristics. The current understanding of the mechanism by which the Gr/HEA is enhanced at the atomic level is still limited. Molecular dynamics simulations revealed the mechanical behavior and strengthening mechanism of the Gr/AlCoCrFeNi HEA during nanoindentation and nanoscratch. The results demonstrate a substantial increase in the indentation hardness of the Gr/AlCoCrFeNi HEA by about 2.4 times. When Gr changed from a single layer to three layers, it further improved (3.2 times for a double layer and 3.9 times for three layers). At the same time, the friction coefficient is effectively reduced. Furthermore, the elevated in-plane stiffness of the Gr coating leads to an expansion of the effective loading area, resulting in increased Shockley dislocation and stair-rod dislocation density within the Gr/AlCoCrFeNi HEA, thereby amplifying the strain hardening effect and reducing subsurface damage. Qualitative experiments confirmed the excellent wear resistance of the Gr/HEA, and coating Gr increased the width of scratches, effectively confirming our simulation results. These findings provide valuable insights for the development and design of Gr/HEA composite coatings with enhanced mechanical properties. [ABSTRACT FROM AUTHOR]

Chemical vapor deposition (CVD) is a crucial technique to prepare high-quality graphene because of its controllability. In the research, we perform a systematic computational fluid dynamics numerical investigation on the effect of gas-phase reaction dynamics on the graphene growth in a horizontal tube CVD reactor. The research results indicate that the gas-phase chemical reactions in the CVD reactor are in a nonequilibrium state, as evidenced by the comparison of species mole fraction distributions during the CVD process and under chemical equilibrium conditions. The effect of gas-phase reaction dynamics on the deposition rate of graphene under different conditions is studied, and our research shows that the main causes of change in graphene growth rates under different conditions are gas-phase reaction dynamics and active species transport. The results of numerical simulation agree well with the experimental phenomena. The research results also indicate that, for methane, the main limiting factor of graphene growth is the surface kinetic reaction rate. Conversely, for active species, the main limiting factor of graphene growth is species transport. Our research suggests that the growth rate of graphene can be regulated from the perspective of the gas reaction mechanism. This method has theoretical guiding significance and can be extended to the preparation of large-area graphene. [ABSTRACT FROM AUTHOR]

We analyze plasmonic oscillations in the coplanar graphene nanoribbon (GNR) structures induced by the applied terahertz (THz) signals and calculate the GNR impedance. The plasmonic oscillations in the GNR structures are associated with the electron and hole inductances and the lateral inter-GNR capacitance. A relatively low inter-GNR capacitance enables the resonant excitation of the THz plasmonic oscillations in the GNR structures with long GNRs. The GNR structures under consideration can be used in different THz devices as the resonant structures incorporated in THz detectors, THz sources using resonant-tunneling diodes, photomixers, and surface acoustic wave sensors. [ABSTRACT FROM AUTHOR]

Graphene-based applications, such as supercapacitors or capacitive deionization, take place in an aqueous environment, and they benefit from molecular-level insights into the behavior of aqueous electrolyte solutions in single-digit graphene nanopores with a size comparable to a few molecular diameters. Under single-digit graphene nanoconfinement (smallest dimension <2 nm), water and ions behave drastically different than in the bulk. Most aqueous electrolytes in the graphene-based applications as well as in nature contain a mix of electrolytes. We study several prototypical aqueous mixed alkali-chloride electrolytes containing an equimolar fraction of Li/Na, Li/K, or Na/K cations confined between neutral and positively or negatively charged parallel graphene sheets. The strong hydration shell of small Li+ vs a larger Na+ or large K+ with weaker or weak hydration shells affects the interplay between the ions's propensity to hydrate or dehydrate under the graphene nanoconfinement and the strength of the ion–graphene interactions mediated by confinement-induced layered water. We perform molecular dynamics simulations of the confined mixed-cation electrolytes using the effectively polarizable force field for electrolyte–graphene systems and focused on a relation between the electrochemical adsorption and structural properties of the water molecules and ions and their diffusion behavior. The simulations show that the one-layer nanoslits have the biggest impact on the ions' adsorption and the water and ions' diffusion. The positively charged one-layer nanoslits only allow for Cl− adsorption and strengthen the intermolecular bonding, which along with the ultrathin confinement substantially reduces the water and Cl− diffusion. In contrast, the negatively charged one-layer nanoslits only allow for adsorption of weakly hydrated Na+ or K+ and substantially break up the non-covalent bond network, which leads to the enhancement of the water and Na+ or K+ diffusion up to or even above the bulk diffusion. In wider nanoslits, cations adsorb closer to the graphene surfaces than Cl−'s with preferential adsorption of a weakly hydrated cation over a strongly hydrated cation. The positive graphene charge has an intuitive effect on the adsorption of weakly hydrated Na+'s or K+'s and Cl−'s and a counterintuitive effect on the adsorption of strongly hydrated Li+'s. On the other hand, the negative surface charge has an intuitive effect on the adsorption of both types of cations and only mild intuitive or counterintuitive effects on the Cl− adsorption. The diffusion of water molecules and ions confined in the wider nanoslits is reduced with respect to the bulk diffusion, more for the positive graphene charge, which strengthened the intermolecular bonding, and less for the negative surface charge, which weakened the non-covalent bond network. [ABSTRACT FROM AUTHOR]

MXene is investigated as an electrode material for different energy storage systems due to layered structures and metal-like electrical conductivity. Experimental results show MXenes possess excellent cycling performance as anode materials, especially at large current densities. However, the reversible capacity is relatively low, which is a significant barrier to meeting the demands of industrial applications. This work synthesizes N-doped graphene-like carbon (NGC) intercalated Ti3C2Tx (NGC-Ti3C2Tx) van der Waals heterostructure by an in situ method. The as-prepared NGC-Ti3C2Tx van der Waals heterostructure is employed as sodium-ion and lithium-ion battery electrodes. For sodium-ion batteries, a reversible specific capacity of 305 mAh g-1 is achieved at a specific current of 20 mA g-1, 2.3 times higher than that of Ti3C2Tx. For lithium-ion batteries, a reversible capacity of 400 mAh g-1 at a specific current of 20 mA g-1 is 1.5 times higher than that of Ti3C2Tx. Both sodium-ion and lithium-ion batteries made from NGC-Ti3C2Tx shows high cycling stability. The theoretical calculations also verify the remarkable improvement in battery capacity within the NGC-Ti3C2O2 system, attributed to the additional adsorption of working ions at the edge states of NGC. This work offers an innovative way to synthesize a new van der Waals heterostructure and provides a new route to improve the electrochemical performance significantly.

Cellulose fibers were modified via aqueous silane-graphene oxide (GO) coordination by flash drying and extrusion dispersion process. The adsorption of GO reduced the polarity of the cellulose fiber surface and attenuated the agglomeration effect between the cellulose fibers, thus facilitating the dispersion of fibers in the rubber matrix. Adding aqueous 3-aminopropylsilane oligomer (8150) incorporated active sites on the surface of cellulose fibers, thereby improving the interfacial binding properties of cellulose nano fibers (CNFs) and natural rubber (NR). After blending the modified CNFs with NR latex, high-temperature flocculation was performed using an atomised flash device. Finally, CNF/NR was pre-dispersed through a twin-screw extruder, after which a CNF/NR masterbatch with excellent performance was prepared. Experimental results revealed that composites prepared using GO-8150 via the flash drying-twin-screw dispersion process exhibited excellent dispersion characteristics, processing properties, mechanical properties, rolling resistance, wear resistance, and heat generation properties. Compared with traditional dry mixing, the composites prepared by flash drying-twin-screw dispersion process showed a 16.95% increase in tensile strength, 16.07% increase in 300% constant elongation, 19.01% reduction in abrasion consumption, 42.26% reduction in rolling resistance, and a reduction in the Payne effect. This study offers an efficient and environmentally friendly method for the high-value utilization of natural fibers and the preparation of NR composites with excellent properties, while providing a green and nonpolluting modification process with no acidic liquid discharge. Highlights * GO-8150 reduces the polarity of the fibers and promotes dispersion. * The flash extrusion dispersion process achieves green flocculation. * 42% lower rolling resistance for rubber composites. KEYWORDS aqueous silane, cellulose fiber, graphene oxide, natural rubber, rolling resistance, 1 1 INTRODUCTION Carbon black, silica, wollastonite, and calcium carbonate are commonly used as fillers in the rubber industry. In recent years, efforts have been made to limit the use [...]

Cellulose acetate (CA) membranes used in reverse osmosis (RO) desalination techniques often face fouling challenges. In this experimental study, the phase inversion method was employed to investigate the incorporation of graphene oxide nanoparticles (GONP) metal-organic frameworks (MOF), into the casting solution for composite CA-RO membranes. The effects of varying GONP concentrations on fouling resistance and hydrophilicity were evaluated using scanning electron microscopy (SEM), contact angle measurements, and water content analysis. The results demonstrated that the modified CA membrane with 0.05 wt% GONP exhibited improved water permeability (10.3 L/[m.sup.2] h) and salt rejection (95.8%) compared with the pristine CA membrane. These improvements stem from increased hydrophilicity and reduced fouling. This study's findings suggest that incorporating GONP into the polymeric doped solution can effectively mitigate fouling issues and enhance the performance of RO membranes in desalination applications. Highlights * GONP enhances hydrophilicity, reducing fouling in desalination. * Effects of varying GONP concentrations were studied. * GONP-CA membrane shows better permeability and salt rejection than pristine. * Nanocomposite membranes promise in overcoming fouling in RO membranes. KEYWORDS fouling resistance, graphene oxide nanoparticles, metal-organic frameworks, nanocomposite membranes, 1 | INTRODUCTION The physical properties of the membrane, such as its thickness and hydraulic permeability, as well as system factors such as transmembrane pressure, the length of the filtering [...]

This article reports the superparamagnetic behavior of metal-free nitrogen-doped graphene quantum dots (N-GQDs). The pulsed laser ablation (PLA) method was utilized to synthesize N-GQDs with an average diameter of 3.45 nm and a high doping level (N/C) of 1.4. Magnetic properties of as-synthesized N-GQDs were explored by performing magnetization vs magnetic field (M–H) and magnetization vs temperature (M–T) measurements. M–H plots measured in a temperature range of 2–300 K revealed the superparamagnetic behavior of N-GQDs. The value of saturation magnetization was found to be directly correlated to nitrogen concentration and a saturation magnetization up to 28.7 emu/g was obtained at room temperature (300 K). M–T measurements with zero-field-cooled (ZFC) and field-cooled (FC) conditions were employed to study anisotropy energy barriers and blocking temperature. A variation in the blocking temperature (TB) from 288 to 61 K was observed when the external magnetic field (H) was changed from 0.1 to 0.6 T. The origin of superparamagnetism was attributed to the presence of graphitic nitrogen bonding configuration and defect states. The observed superparamagnetic properties along with the optical properties of N-GQDs create an opportunity for developing materials for biomedical applications and data recording devices. [ABSTRACT FROM AUTHOR]

The capacity to externally manipulate magnetic properties is highly desired from both fundamental and technological perspectives, particularly in the development of magnetoelectronics and spintronics devices. Here, using first-principles calculations, we have demonstrated the ability of controlling the magnetism of magnetized graphene monolayers by interfacing them with a two-dimensional ferroelectric material. When the 3d transition metal (TM) is adsorbed on the graphene monolayer, its magnetization easy axis can be flipped from in-plane to out-of-plane by the ferroelectric polarization reversal of In2Se3, and the magnetocrystalline anisotropy energy (MAE) can be high to −0.692 meV/atom when adopting the Fe atom at bridge site with downward polarization. This may be a universal method since the 3d TM-adsorbed graphene has a very small MAE, which can be easily manipulated by the ferroelectric polarization. As a result, the inherent mechanism is analyzed by the second variation method. [ABSTRACT FROM AUTHOR]

The capacity to externally manipulate magnetic properties is highly desired from both fundamental and technological perspectives, particularly in the development of magnetoelectronics and spintronics devices. Here, using first-principles calculations, we have demonstrated the ability of controlling the magnetism of magnetized graphene monolayers by interfacing them with a two-dimensional ferroelectric material. When the 3d transition metal (TM) is adsorbed on the graphene monolayer, its magnetization easy axis can be flipped from in-plane to out-of-plane by the ferroelectric polarization reversal of In2Se3, and the magnetocrystalline anisotropy energy (MAE) can be high to −0.692 meV/atom when adopting the Fe atom at bridge site with downward polarization. This may be a universal method since the 3d TM-adsorbed graphene has a very small MAE, which can be easily manipulated by the ferroelectric polarization. As a result, the inherent mechanism is analyzed by the second variation method. [ABSTRACT FROM AUTHOR]

The graphene-based electromagnetic wave absorption materials have attracted extensive attention due to their lightweight, strong absorption, broadband, and thin thickness. In this work, graphene hollow microspheres anchored with FeNi-coupled nanocrystal (GHMs@FeNi3/NiFe2O4) were synthesized using water-in-oil (W/O) emulsification and high-temperature calcination. The GHMs@FeNi3/NiFe2O4 microspheres have a homogeneous spherical morphology and a pronounced hollow structure, and the FeNi-coupled nanocrystals are homogeneously embedded in a spongy shell assembled by rGO nanosheets. Owing to the optimized impedance matching and enhanced attenuation, the GHMs@FeNi3/NiFe2O4 composites exhibit outstanding microwave absorption ability, particularly in the Ku band. The minimum reflection loss (RLmin) value can reach −58.96 dB at 14.43 GHz with a matching thickness of 2.25 mm, and the effective absorption bandwidth (lower than −10 dB) is up to 6.29 GHz (11.71–18 GHz) covering the whole Ku band. We believe that our work provides an idea for the design of high-performance absorbing composite materials. [ABSTRACT FROM AUTHOR]

In this work, we investigate the possibilities of performing charge and spin current rectifications using graphene nano-ribbon in the presence of Rashba spin–orbit (SO) interaction. More specifically, we explore the specific role of mechanical strain on these two different types of current rectifications. The system is simulated by a tight-binding framework, where all the results are worked out based on the standard Green's function formalism. In order to have current rectification, an asymmetry is required, which is incorporated through uncorrelated disorder among the constituent lattice points. From our extensive numerical analysis, we find that reasonably large charge and spin current rectifications can be obtained under strained conditions, and all the physical pictures are valid for a broad range of tight-binding parameters. The rectification properties are studied mostly for zigzag graphene nano-ribbons; however, an armchair ribbon is also taken into account for a clear comparison. Our work may provide a new direction of getting strain-controlled current rectifications in similar kinds of other physical systems as well. [ABSTRACT FROM AUTHOR]

In our previous work, we synthesized a metal/2D material heterointerface consisting of L 1 0 -ordered iron–palladium (FePd) and graphene (Gr) called FePd(001)/Gr. This system has been explored by both experimental measurements and theoretical calculations. In this study, we focus on a heterojunction composed of FePd and multilayer graphene referred to as FePd(001)/ m -Gr/FePd(001), where m represents the number of graphene layers. We perform first-principles calculations to predict their spin-dependent transport properties. The quantitative calculations of spin-resolved conductance and magnetoresistance (MR) ratio (150 %– 200 %) suggest that the proposed structure can function as a magnetic tunnel junction in spintronics applications. We also find that an increase in m not only reduces conductance but also changes transport properties from the tunneling behavior to the graphite π -band-like behavior. Additionally, we investigate the spin-transfer torque-induced magnetization switching behavior of our junction structures using micromagnetic simulations. Furthermore, we examine the impact of lateral displacements (sliding) at the interface and find that the spin transport properties remain robust despite these changes; this is the advantage of two-dimensional material hetero-interfaces over traditional insulating barrier layers such as MgO. [ABSTRACT FROM AUTHOR]

Transparent and flexible metamaterial absorbers can provide solutions for electromagnetic compatibility and electromagnetic radiation pollution. They also play key roles in platforms with optical windows that require low detectability and immunity to electromagnetic interference. Due to the lack of active adaptability to complex electromagnetic environments, early metamaterial absorbers need to be redesigned and manufactured once the application scenarios change. The new two-dimensional material graphene provides a practical technical approach for the realization of transparent tunable absorbers. In this work, we propose a polarization-insensitive dual-tunable microwave absorber based on graphene metasurface. By controlling two separate bias voltages applied to patterned graphene or continuous graphene, independent dynamic regulation of electromagnetic wave absorption frequency and amplitude is achieved. It also possesses the features of optical transparency and flexibility. The measurement results show that the absorption frequency can be shifted from 9.8 to 11.3 GHz, the peak absorption rate at each absorption frequency remains above 99.6%, and the reflection amplitude modulation can be achieved simultaneously at each absorption frequency. The proposed absorber integrates multiple modulation functions for electromagnetic waves, and the overall structure is optically transparent and flexible. Therefore, it can contribute to many practical wave absorbing applications. [ABSTRACT FROM AUTHOR]

In this work, we have studied the spin-dependent ballistic transport and anomalous quantum tunneling in bilayer graphene horizontally placed in between two Rashba–Zeeman (RZ) leads under external electric biasing. We investigated the transmission and conductance for the proposed system using scattering matrix formalism and the Landauer–Büttiker formula considering a double delta-like barrier under a set of experimentally viable parameters. We found that the transmission characteristics are notably different for up- and down-spin incoming electrons depending upon the strength of magnetization. Moreover, the transmission of up- and down-spin electrons is found to be magnetization orientation dependent. The maximum tunneling conductance can be achieved by tuning biasing energy and magnetization strength and choosing a material with suitable Rashba spin–orbit coupling (RSOC). This astonishing property of our system can be utilized in fabricating devices, such as spin filters. We found that the Fano factor of our system is 0.4 under strong magnetization conditions, while it reduces to 0.3 under low magnetization conditions. Moreover, we also noticed that the transmission and conductance significantly depend on the Rashba–Zeeman effect. Therefore, considering a suitable RZ material, the tunneling of the electrons can be tuned and controlled. Our result suggests that considering suitable strength and orientation of magnetization with moderate RSOC, one can obtain a different transmission probability for spin species under suitable biasing energy. These results indicate the suitability of the proposed system in fabrication of spintronic devices, such as spin filter, spin transistor, etc. [ABSTRACT FROM AUTHOR]

We present an atomistic simulation of thermoelectric properties in cove-edged graphene nanoribbons (CGNRs) via the nonequilibrium Green's function. Different from gapless zigzag graphene nanoribbons (ZGNRs), CGNRs exhibit a noticeable bandgap. Such a bandgap can be modulated by varying three structural parameters (namely, the width N, the distance between adjacent coves m, as well as the shortest offset n) of CGNRs, which can give rise to the transition from semiconducting to semi-metallic. Due to the less dispersive phonon bands and the decrease in the number of phonon channels of CGNRs, they are found to have the lower phonon thermal conductance than ZGNRs. Modulation of CGNRs can produce over tenfold improvement of the maximum of ZT compared to ZGNRs. This improvement is due to the promotion of the Seebeck coefficient together with the degradation of the phonon thermal conductance of CGNRs compared to ZGNRs. [ABSTRACT FROM AUTHOR]

Nitrogen-doped graphene materials hold significant promise for diverse applications owing to their exceptional electrical properties and the tunability of thermal conductivity. Therefore, the non-equilibrium molecular dynamics simulations were used to explore the phonon transport properties of nitrogen-doped graphene nanoribbons. The findings indicate that periodic doping with a small quantity of nitrogen atoms can induce coherent phonon transport, thereby resulting in a substantial reduction in thermal conductivity. Our analysis delves into various phonon and energy transport parameters, including the phonon dispersion relation, group velocity, state density, participation rate, and spectral heat flow. Through this examination, we have elucidated the coexistence and transformation mechanisms of both coherent and incoherent phonon transport under different conditions. Furthermore, our findings revealed a notable trend: once the concentration of nitrogen atoms in the doped atomic layer reaches 37.5%, the reduction in thermal conductivity attains its maximum effectiveness. Beyond this concentration, further increases in the nitrogen atom concentration result in diminishing returns, rendering the reduction in thermal conductivity ineffective. [ABSTRACT FROM AUTHOR]

The photonic spin Hall effect has attracted considerable attention for its potential applications in precision metrology and spin-based photonics. However, the spin-dependent transverse shift arising from this phenomenon is considerably weak and poses a challenge in terms of detection. Here, we present a novel technique to amplify the photonic spin Hall effect by exciting the optical Tamm states through an Au-distributed Bragg reflector. Our approach involves optimizing the thickness of the Au layer and the spacing layer, as well as adjusting the Fermi energy of graphene. The result is a remarkable transverse shift of up to 18 μm in the horizontal polarization state. Furthermore, we introduce graphene into the Au-distributed Bragg reflector to enable dynamic control of the photonic spin Hall effect by manipulating the Fermi energy of graphene. These findings represent an innovative platform for enhancing and actively controlling the photonic spin Hall effect with significant potential for spin-controlled optics. [ABSTRACT FROM AUTHOR]

Theoretical prediction of interfacial capacitance in graphene-based supercapacitors is crucial to accelerating materials' design and development cycles. However, there is currently a significant gap between ab initio predictions and experimental reports, particularly in the case of nitrogen-doped graphene. Analyses based on changes to the density of states of freestanding graphene upon doping do not account for the electronic interactions between the electrode, dopants, and substrates. The result is an overestimation of the doping-induced capacitance increase by up to two orders of magnitude. Moreover, it is unclear whether electrolyte and solvent interactions can further complicate matters by inducing changes to the band structure and, therefore, the capacitive properties of the electrode. A third complication lies in the fixed-band approximation, where materials are simulated without accounting for the influence of an external electrical field. In this work, we present an interfacial modeling and characterization procedure that leverages the combined strengths of ab-initio molecular dynamics, density functional theory, and microscopic polarization theory to produce reliable predictions of interfacial capacitance. The procedure is applied to two case studies of interest in supercapacitor design: (1) nitrogen-doped graphene on a Cu(111) substrate and (2) an interface between bulk water and Cu(111)-supported graphene at room temperature. Results show that water alters graphene's band structure from a semi-metallic to an n-doped-semiconducting character and that metallic substrates dominate the band structure of the electrode interface even in the presence of dopants. The water interface also shows an asymmetric capacitive response relative to the polarity of the applied field. [ABSTRACT FROM AUTHOR]

Using nonequilibrium molecular dynamics (NEMD) based direct method and spectral energy density (SED) method, we calculate the size-dependent thermal conductivities (TCs) of single layer graphene (SLG), AB-stacked bilayer graphene (AB-BLG), and 21.78 ° twisted BLG (tBLG) in a robust and consistent manner. Our NEMD analysis reveals discrepancies in high TC reported for graphene systems in some of the earlier studies. Similarly, some of the previous SED based studies were done with unreliable SED Φ ′ approach. We conduct size-dependent analysis of the graphene systems by the SED method for the first time and report that bulk TCs for SLG and tBLG systems are nearly the same when calculated by either the direct or the SED method. Contrary to studies that claim that phonon group velocities of AB-BLG and tBLG samples do not change, we find that although average group velocities in SLG and AB-BLG are almost the same, they are around 30% higher when compared to tBLG samples with different twist angles. On the other hand, average phonon lifetimes are almost similar for AB-BLG and 21.78 ° tBLG samples but around 43% lower than the average phonon lifetime of SLG. Together these trends suggest the reason behind the decreasing order of TCs across three systems. We also systematically study the basic phonon mode contributions to TCs and their properties and find that the high-symmetry modes contribute the most in all three systems. [ABSTRACT FROM AUTHOR]

Recent experiments related to a study concerning the adsorption of water on graphene have demonstrated the p-doping of graphene, although most of the ab initio calculations predict nearly zero doping. To shed more light on this problem, we have carried out van der Waals density functional theory calculations of water on graphene for both individual water molecules and continuous water layers with coverage ranging from one to eight monolayers. Furthermore, we have paid attention to the influence of the water molecule orientation toward graphene on its doping properties. In this article, we present the results of the band structure and the Bader charge analysis, showing the p-doping of graphene can be synergistically enhanced by putting 4–8 layers of an ice–like water structure on graphene having the water molecules oriented with oxygen atoms toward graphene. [ABSTRACT FROM AUTHOR]

The pursuit of advanced materials to meet the escalating demands of energy storage system has led to the emergence of vertical graphene (VG) as a highly promising candidate. With its remarkable strength, stability, and conductivity, VG has gained significant attention for its potential to revolutionize energy storage technologies. This comprehensive review delves deeply into the synthesis methods, structural modifications, and multifaceted applications of VG in the context of lithium–ion batteries, silicon-based lithium batteries, lithium–sulfur batteries, sodium–ion batteries, potassium–ion batteries, aqueous zinc batteries, and supercapacitors. The review elucidates the intricate growth process of VG and underscores the paramount importance of optimizing process parameters to tailor VG for specific applications. Subsequently, the pivotal role of VG in enhancing the performance of various energy storage and conversion systems is exhaustively discussed. Moreover, it delves into structural improvement, performance tuning, and mechanism analysis of VG composite materials in diverse energy storage systems. In summary, this review provides a comprehensive look at VG synthesis, modification, and its wide range of applications in energy storage. It emphasizes the potential of VG in addressing critical challenges and advancing sustainable, high-performance energy storage devices, providing valuable guidance for the development of future technologies. [ABSTRACT FROM AUTHOR]

Two-dimensional molybdenum disulfide (MoS2) has been proved to be a good candidate in photodetectors, and MoS2/graphene (MoS2/G) heterostructure has been widely used to expand the optical response wavelength of MoS2. To clarify the carrier transfer dynamics in the MoS2/G heterostructure, time-resolved transient absorption and two-color pump–probe measurements are performed. By comparing the carrier dynamics in MoS2 and MoS2/G under different pump wavelengths, we find that interfacial excitons are formed in the heterostructure, and fast hot carriers transfer (<200 fs) from graphene to MoS2 are observed. The results indicate that the formed heterostructure with graphene can not only expand the optical response wavelength of MoS2 but also improve the response time of the device in the near-infrared region. [ABSTRACT FROM AUTHOR]

This study investigates the effects of kinetic energy and projectile size on particle emission from a phenylalanine overlayer adsorbed on a graphene bilayer during argon projectile bombardment. Projectiles of various sizes (1–1000 atoms) and kinetic energies (0.5–40 keV) are used to study their impact on the ejection efficiency, mass distribution, and kinetic and angular spectra of the emitted substances. Particle ejection mechanisms are discussed in scenarios with and without sample perforation. Additionally, this study investigated the potential use of graphene in secondary ion mass spectrometry or neutral secondary mass spectrometry analyses. [ABSTRACT FROM AUTHOR]

Molecular hydrogen has the potential to significantly reduce the use of carbon dioxide emitting energy processes. However, hydrogen gas storage is a major bottleneck for its large-scale use as current storage methods are energy intensive. Among different storage methods, physisorbing molecular hydrogen at ambient pressure and temperatures is a promising alternative—particularly in light of the advancements in tunable lightweight nanomaterials and high throughput screening methods. Nonetheless, understanding hydrogen adsorption in well-defined nanomaterials remains experimentally challenging and reference information is scarce despite the proliferation of works predicting hydrogen adsorption. We focus on Li, Na, Ca, and K, decorated graphene sheets as substrates for molecular hydrogen adsorption, and compute the most accurate adsorption energies available to date using quantum diffusion Monte Carlo (DMC). Building on our previous insights at the density functional theory (DFT) level, we find that a weak covalent chemisorption of molecular hydrogen, known as Kubas interaction, is feasible on Ca decorated graphene according to DMC, in agreement with DFT. This finding is in contrast to previous DMC predictions of the 4H2/Ca+ gas cluster (without graphene) where chemisorption is not favored. However, we find that the adsorption energy of hydrogen on metal decorated graphene according to a widely used DFT method is not fully consistent with DMC. The reference adsorption energies reported herein can be used to find better work-horse methods for application in large-scale modeling of hydrogen adsorption. Furthermore, the implications of this work affect strategies for finding suitable hydrogen storage materials and high-throughput methods. [ABSTRACT FROM AUTHOR]

This work presents systematic comparisons between classical molecular dynamics (cMD) and quantum dynamics (QD) simulations of 15-dimensional and 75-dimensional models in their description of H atom scattering from graphene. We use an experimentally validated full-dimensional neural network potential energy surface of a hydrogen atom interacting with a large cell of graphene containing 24 carbon atoms. For quantum dynamics simulations, we apply Monte Carlo canonical polyadic decomposition to transform the original potential energy surface (PES) into a sum of products form and use the multi-layer multi-configuration time-dependent Hartree method to simulate the quantum scattering of a hydrogen or deuterium atom with an initial kinetic energy of 1.96 or 0.96 eV and an incident angle of 0°, i.e., perpendicular to the graphene surface. The cMD and QD initial conditions have been carefully chosen in order to be as close as possible. Our results show little differences between cMD and QD simulations when the incident energy of the H atom is equal to 1.96 eV. However, a large difference in sticking probability is observed when the incident energy of the H atom is equal to 0.96 eV, indicating the predominance of quantum effects. To the best of our knowledge, our work provides the first benchmark of quantum against classical simulations for a system of this size with a realistic PES. Additionally, new projectors are implemented in the Heidelberg multi-configuration time-dependent Hartree package for the calculation of the atom scattering energy transfer distribution as a function of outgoing angles. [ABSTRACT FROM AUTHOR]

Understanding the ionic transport through multilayer nanoporous graphene (NPG) holds great promise for the design of novel nanofluidic devices. Bilayer NPG with different structures, such as nanopore offset and interlayer space, should be the most simple but representative multilayer NPG. In this work, we use molecular dynamics simulations to systematically investigate the ionic transport through a functionalized bilayer NPG, focusing on the effect of pore functionalization, offset, applied pressure and interlayer distance. For a small interlayer space, the fluxes of water and ions exhibit a sudden reduction to zero with the increase in offset that indicates an excellent on-off gate, which can be deciphered by the increasing potential of mean force barriers. With the increase in pressure, the fluxes increase almost linearly for small offsets while always maintain zero for large offsets. Finally, with the increase in interlayer distance, the fluxes increase drastically, resulting in the reduction in ion rejection. Notably, for a specific interlayer distance with monolayer water structure, the ion rejection maintains high levels (almost 100% for coions) with considerable water flux, which could be the best choice for desalination purpose. The dynamics of water and ions also exhibit an obvious bifurcation for cationic and anionic functionalization. Our work comprehensively addresses the ionic transport through a bilayer NPG and provides a route toward the design of novel desalination devices. [ABSTRACT FROM AUTHOR]

Theoretical models have predicted that pH-responsive surface groups can reduce the sensitivity of field-effect transistor biosensors. However, attempts to prove this experimentally have shown conflicting results. In this work, a graphene field effect transistor (gFET) biosensor is used, which, without modification, is pH insensitive. The surface of the graphene is then functionalized using 1-hydroxypyrene to modulate the pH sensitivity of the gFET. A pH sensitivity ranging from 3.9 to 36.8 mV/pH was demonstrated. The biosensitivity of the gFETs was tested using streptavidin–biotin as a model system. The experimental results showed no correlation between biosensitivity and pH sensitivity. An electrochemical membrane model was used to determine the expected relationship between biosensitivity and pH sensitivity. The model results show that biosensitivity does not decrease until a certain threshold pH sensitivity is reached. This threshold is dependent on factors such as the acid dissociation constants of the surface hydroxyl groups and ion concentration. Furthermore, the differences between the simulation and experiment suggest that the effect of screening is greatly reduced when the analyte binds within a membrane. [ABSTRACT FROM AUTHOR]

In the present study, we have explored the absorption properties of a monolayer graphene-based photonic heterostructure, which consists of topological photonic configurations, graphene, and a Bragg mirror. The optical attributes were computed by using the 4 × 4 transfer matrix method. The results indicate that the creation of topological interface states and strong coupling between these resonant modes result in mode splitting, leading to the formation of hybrid modes known as coupled topological interface states with unity transmittance. The number of absorption modes can be modulated with an appropriate selection of cascaded photonic structures. Our proposed design with 1, 3, 5, and 7 cascaded topological photonic structures provides 1, 5, 9, and 13 absorption modes with greater than 90 % absorption. The findings also reveal that absorption peak strength is greatly influenced by Fermi-level and magnetic fields; switching of the modes from absorption to reflection and vice versa is achieved by suitable electrical and magnetic biasing. Our proposed design offers various applications, such as switchable filters, absorbers, and modulators. [ABSTRACT FROM AUTHOR]

We examine the aggregation behavior of AuNPs of different sizes on graphene as function of temperature using molecular dynamic simulations with Reax Force Field. In addition, the consequences of such aggregation on the morphology of AuNPs and the charge transfer behavior of AuNP-Graphene hybrid structure are analyzed. The aggregation of AuNPs on graphene is confirmed from the center of mass distance calculation. The simulation results indicate that the size of AuNPs and temperature significantly affect the aggregation behavior of AuNPs on graphene. The strain calculation showed that shape of AuNPs changes due to the aggregation and the smaller size AuNPs on graphene exhibit more shape changes than larger AuNPs at all the temperatures studies in this work. The charge transfer calculation reveals that, the magnitude of charge transfer is higher for larger AuNPs-graphene composite when compared with smaller AuNPs-graphene composite. The charge transfer trend and the trends seen in the number of Au atoms directly in touch with graphene are identical. Hence, our results conclude that, quantity of Au atoms directly in contact with graphene during aggregation is primarily facilitates charge transfer between AuNPs and graphene. Our results on the size dependent strain and charge transfer characteristics of AuNPs will aid in the development of AuNPs-graphene composites for sensor applications. [ABSTRACT FROM AUTHOR]

We report results on the mechanical and structural response to shear deformation of nanodiamond superstructures in interlayer-bonded twisted bilayer graphene (IB-TBG) and interlayer-bonded graphene bilayers with randomly distributed individual interlayer C–C bonds (RD-IBGs) based on molecular-dynamics simulations. We find that IB-TBG nanodiamond superstructures subjected to shear deformation undergo a brittle-to-ductile transition (BDT) with increasing interlayer bond density (nanodiamond fraction). However, RD-IBG bilayer sheets upon shear deformation consistently undergo brittle failure without exhibiting a BDT. We identify, explain, and characterize in atomic-level detail the different failure mechanisms of the above bilayer structures. We also report the dependence of the mechanical properties, such as shear strength, crack initiation strain, toughness, and shear modulus, of these graphene bilayer sheets on their interlayer bond density and find that these properties differ significantly between IB-TBG nanodiamond superstructures and RD-IBG sheets. Our findings show that the mechanical properties of interlayer-bonded bilayer graphene sheets, including their ductility and the type of failure they undergo under shear deformation, can be systematically tailored by controlling interlayer bond density and distribution. These findings contribute significantly to our understanding of these 2D graphene-based materials as mechanical metamaterials. [ABSTRACT FROM AUTHOR]

Screened plasmon properties of graphene near a perfect electric conductor (PEC) are investigated taking into account the retardation effects. A detailed discussion of the dispersion relation of the mentioned screened plasmonic waves is presented and illustrated graphically using classical electrodynamics and a linearized hydrodynamic model that includes Fermi correction. The result indicates that for realistic wavenumbers, the dispersion relation of plasmonic waves of isolated graphene is almost unaffected by the Fermi correction, while this correction is an important factor for the screened plasmons of graphene near a PEC, where it increases the frequency of surface waves. The results show that near the graphene neutrality point, the surface wave has linear dispersion with a universal speed close to v F / 2. Such linear dispersion for surface waves (also known as energy waves) appears to be a common occurrence when splitting of plasma frequencies occurs, e.g., in the electron–hole plasma of graphene [Zhao et al., Nature 614, 688 (2023)]. Furthermore, analytical expressions for the energy parameters (the power flow, energy density, and energy velocity) of screened plasmons of the system are derived. Also, the analytical expressions are derived and analyzed for the damping function and surface plasmon and electromagnetic field strength functions of surface waves of the system with small intrinsic damping. [ABSTRACT FROM AUTHOR]

In this work, we investigate the diffusion of LiCl electrolytes in 3D-nanoporous graphene structures (3D-NGSs) through molecular dynamics simulations. The diffusion coefficients, D, of water, Li+, and Cl− are calculated in 3D-NGSs with different LiCl concentrations, porosities, and surface charge densities under various temperatures. It is found that the diffusion coefficients follow the Arrhenius Equation and power laws for the dependence on the temperature and porosity, respectively. They decrease with increasing salt concentration. At high surface charge densities, the diffusion coefficients decrease with increasing charge density, which, however, plays a minor role in affecting the diffusion coefficients in the range of 0–0.2 C m−2. The mechanisms are investigated through the potential energy distribution in the 3D-NGSs. General scaling laws for the diffusion coefficients of water, Li+, and Cl− are proposed. The results in this work provide useful information for the design of electrodes and various energy systems. [ABSTRACT FROM AUTHOR]

This paper investigates near-interfacial charge trapping effects in graphene field-effect transistors with high-K gate dielectrics. Experimental and model-based analysis elucidates the impact of trapped charge on the transport properties of graphene. Landauer formalism is applied to correlate trapping-enhanced charged impurity scattering to degradation in conductivity and mobility. The analysis shows a significant reduction in conductivity and mobility with a transition toward the dominance of charge impurity scattering as evidenced by their dependence on the sheet carrier density. Moreover, we quantify the impact of trapped charge buildup on the carrier backscattering mean free path associated with charged impurities. This work provides new insights into the impact of charge trapping toward the development of logic, memory, and neuromorphic devices based on graphene and other low-dimensional materials and ultrascaled high-K dielectrics. [ABSTRACT FROM AUTHOR]

The study of waveguide propagating modes is essential for achieving directional electronic transport in two-dimensional materials. Simultaneously, exploring potential gaps in these systems is crucial for developing devices akin to those employed in conventional electronics. Building upon the theoretical groundwork laid by Hartmann and Portnoi [Phys. Rev. A 89, 012101 (2014)], which focused on implementing waveguides in pristine graphene monolayers, this work delves into the impact of a waveguide on two-dimensional gapped Dirac systems. We derive exact solutions encompassing wave functions and energy-bound states for secant-hyperbolic attractive potential in gapped graphene, with a gap generated by sublattice asymmetry or Kekulé-distortion. These solutions leverage the inherent properties and boundary conditions of the Heun polynomials. Our findings demonstrate that the manipulation of the number of accessible energy-bound states, i.e., transverse propagating modes, relies on factors, such as the width and depth of the potential as well as the gap value of the two-dimensional material. [ABSTRACT FROM AUTHOR]

We report on the observation of a nonlinear intensity dependence of the terahertz radiation-induced ratchet effects in bilayer graphene with asymmetric dual-grating gate lateral lattices. These nonlinear ratchet currents are studied in structures of two designs with dual-grating gates fabricated on top of boron nitride encapsulated bilayer graphene and beneath it. The strength and sign of the photocurrent can be controllably varied by changing the bias voltages applied to individual dual-grating subgates and the back gate. The current consists of contributions insensitive to the radiation's polarization state, defined by the orientation of the radiation electric field vector with respect to the dual-grating gate metal stripes, and the circular ratchet sensitive to the radiation helicity. We show that intense terahertz radiation results in a nonlinear intensity dependence caused by electron gas heating. At room temperature, the ratchet current saturates at high intensities of the order of hundreds to several hundreds of kW cm − 2 . At T = 4 K, the nonlinearity manifests itself at intensities that are one or two orders of magnitude lower; moreover, the photoresponse exhibits a complex dependence on the intensity, including a saturation and even a change of sign with increasing intensity. This complexity is attributed to the interplay of the Seebeck ratchet and the dynamic carrier-density redistribution, which feature different intensity dependencies and nonlinear behavior of the sample's conductivity induced by electron gas heating. The latter is demonstrated by studying the THz photoconductivity. Our study demonstrates that graphene-based asymmetric dual-grating gate devices can be used as terahertz detectors at room temperature over a wide dynamic range, spanning many orders of magnitude of terahertz radiation power. Therefore, their integration together with current-driven read-out electronics is attractive for the operation with high-power pulsed sources. [ABSTRACT FROM AUTHOR]