Toward Zero Static Friction at the Microscale.

Static friction, a ubiquitous physical phenomenon, plays a significant role in natural processes and industrial applications. Its influence is particularly notable in the field of controlled micromanipulation and precision manufacturing, where static friction often exceeds kinetic friction and leads to material damage and unpredictable behaviors. In this study, we report the first experimental observation of the elimination of static friction peak in sliding micrometer contacts of layered materials, achieved through a technique involving selective etching of the amorphous edges of single crystalline surfaces.

Graphene nanoribbons grown in hBN stacks for high-performance electronics.

Van der Waals encapsulation of two-dimensional materials in hexagonal boron nitride (hBN) stacks is a promising way to create ultrahigh-performance electronic devices. However, contemporary approaches for achieving van der Waals encapsulation, which involve artificial layer stacking using mechanical transfer techniques, are difficult to control, prone to contamination and unscalable. Here we report the transfer-free direct growth of high-quality graphene nanoribbons (GNRs) in hBN stacks.

Experimental Decoding and Tuning Electronic Friction of Si Nanotip Sliding on Graphene.

Due to the coupled contributions of adhesion and carrier to friction typically found in previous research, decoupling the electron-based dissipation is a long-standing challenge in tribology. In this study, by designing and integrating a graphene/-BN/graphene/-BN stacking device into an atomic force microscopy, the carrier density dependent frictional behavior of a single-asperity sliding on graphene is unambiguously revealed by applying an external back-gate voltage, while maintaining the adhesion unaffected. Our experiments reveal that friction on the graphene increases monotonically with the increase of carrier density.

Tip Growth of Quasi-Metallic Bilayer Graphene Nanoribbons with Armchair Chirality.

Graphene nanoribbons (GNRs), quasi one-dimensional (1D) narrow strips of graphene, have shown promise for high-performance nanoelectronics due to their exceptionally high carrier mobility and structurally tunable bandgaps. However, producing chirality-uniform GNRs on insulating substrates remains a big challenge. Here, we report the successful growth of bilayer GNRs with predominantly armchair chirality and ultranarrow widths (<5 nm) on insulating hexagonal boron nitride (h-BN) substrates using chemical vapor deposition (CVD).

Anisotropic Interfacial Force Field for Interfaces of Water with Hexagonal Boron Nitride.

This study introduces an anisotropic interfacial potential that provides an accurate description of the van der Waals (vdW) interactions between water and hexagonal boron nitride (-BN) at their interface. Benchmarked against the strongly constrained and appropriately normed functional, the developed force field demonstrates remarkable consistency with reference data sets, including binding energy curves and sliding potential energy surfaces for various configurations involving a water molecule adsorbed atop the -BN surface. These findings highlight the significant improvement achieved by the developed force field in empirically describing the anisotropic vdW interactions of the water/-BN heterointerfaces.

Anisotropic Interlayer Force Field for Group-VI Transition Metal Dichalcogenides.

An anisotropic interlayer force field that describes the interlayer interactions in homogeneous and heterogeneous interfaces of group-VI transition metal dichalcogenides (MX, where M = Mo, W, and X = S, Se) is presented. The force field is benchmarked against density functional theory calculations for bilayer systems within the Heyd-Scuseria-Ernzerhof hybrid density functional approximation, augmented by a nonlocal many-body dispersion treatment of long-range correlation. The parametrization yields good agreement with the reference calculations of binding energy curves and sliding potential energy surfaces.

In Situ Twistronics: A New Platform Based on Superlubricity.

Twistronics, an emerging field focused on exploring the unique electrical properties induced by twist interface in graphene multilayers, has garnered significant attention in recent years. The general manipulation of twist angle depends on the assembly of van der Waals (vdW) layered materials, which has led to the discovery of unconventional superconductivity, ferroelectricity, and nonlinear optics, thereby expanding the realm of twistronics. Recently, in situ tuning of interlayer conductivity in vdW layered materials has been achieved based on scanning probe microscope.

Deducing the internal interfaces of twisted multilayer graphene via moiré-regulated surface conductivity.

The stacking state of atomic layers critically determines the physical properties of twisted van der Waals materials. Unfortunately, precise characterization of the stacked interfaces remains a great challenge as they are buried internally. With conductive atomic force microscopy, we show that the moiré superlattice structure formed at the embedded interfaces of small-angle twisted multilayer graphene (tMLG) can noticeably regulate surface conductivity even when the twisted interfaces are 10 atomic layers beneath the surface.

Bioinspired Multiscale Micro-/Nanofiber Network Design Enabling Extremely Compressible, Fatigue-Resistant, and Rapidly Shape-Recoverable Cryogels.

Cryogels with extreme mechanical properties such as ultrahigh compressibility, fatigue resistance, and rapid recovery are attractive in biomedical, environmental remediation, and energy storage applications, which, however, are difficult to achieve in man-made materials. Here, inspired by the multiscale macro-/microfiber network structure of spider web, we construct an ultraelastic chitosan cryogel with interconnected hybrid micro-/nanofibers (CMNF cryogels) freeze-induced physicochemical cross-linking. Chitosan chains are directionally assembled into high-aspect-ratio microfibers and nanofibers under shear-flow induction, which are further assembled into an interconnected three-dimensional (3D) network structure with staggered microfibers and nanofibers.

Spontaneous Movement of a Droplet on a Conical Substrate: Theoretical Analysis of the Driving Force.

Experiments and simulations have shown that a droplet can move spontaneously and directionally on a conical substrate. The driving force originating from the gradient of curvatures is revealed as the self-propulsion mechanism. Theoretical analysis of the driving force is highly desirable; currently, most of them are based on a perturbative theory with assuming a weakly curved substrate.

Catalytic Growth of Ultralong Graphene Nanoribbons on Insulating Substrates.

Graphene nanoribbons (GNRs) with widths of a few nanometers are promising candidates for future nanoelectronic applications due to their structurally tunable bandgaps, ultrahigh carrier mobilities, and exceptional stability. However, the direct growth of micrometer-long GNRs on insulating substrates, which is essential for the fabrication of nanoelectronic devices, remains an immense challenge. Here, the epitaxial growth of GNRs on an insulating hexagonal boron nitride (h-BN) substrate through nanoparticle-catalyzed chemical vapor deposition is reported.

Anisotropic Interlayer Force Field for Transition Metal Dichalcogenides: The Case of Molybdenum Disulfide.

An anisotropic interlayer force field that describes the interlayer interactions in molybdenum disulfide (MoS) is presented. The force field is benchmarked against density functional theory calculations for both bilayer and bulk systems within the Heyd-Scuseria-Ernzerhof hybrid density functional approximation, augmented by a nonlocal many-body dispersion treatment of long-range correlation. The parametrization yields good agreement with the reference calculations of binding energy curves and sliding potential energy surfaces for both bilayer and bulk configurations.

Registry-Dependent Potential for Interfaces of Gold with Graphitic Systems.

We present a semi-anisotropic interfacial potential (SAIP) designed to classically describe the interaction between gold and two-dimensional (2D) carbon allotropes such as graphene, fullerenes, or hydrocarbon molecules. The potential is able to accurately reproduce dispersion-corrected density functional theory (DFT+D3) calculations performed over selected configurations: a flat graphene sheet, a benzene molecule, and a C fullerene, physisorbed on the Au(111) surface. The effects of bending and hydrogen passivation on the potential terms are discussed.

Superlubric polycrystalline graphene interfaces.

The effects of corrugated grain boundaries on the frictional properties of extended planar graphitic contacts incorporating a polycrystalline surface are investigated via molecular dynamics simulations. The kinetic friction is found to be dominated by shear induced buckling and unbuckling of corrugated grain boundary dislocations, leading to a nonmonotonic behavior of the friction with normal load and temperature. The underlying mechanism involves two effects, where an increase of dislocation buckling probability competes with a decrease of the dissipated energy per buckling event.

Registry-Dependent Peeling of Layered Material Interfaces: The Case of Graphene Nanoribbons on Hexagonal Boron Nitride.

Peeling of layered materials from supporting substrates, which is central for exfoliation and transfer processes, is found to be dominated by lattice commensurability effects in both low and high velocity limits. For a graphene nanoribbon atop a hexagonal boron nitride surface, the microscopic peeling behavior ranges from stick-slip, through smooth-sliding, to pure peeling regimes, depending on the relative orientation of the contacting surfaces and the peeling angle. The underlying mechanisms stem from the intimate relation between interfacial registry, interlayer interactions, and friction.

Computational Prediction of Superlubric Layered Heterojunctions.

Structural superlubricity has attracted increasing interest in modern tribology. However, experimental identification of superlubric interfaces among the vast number of heterojunctions is a trial-and-error and time-consuming approach. In this work, based on the requirements on the in-plane stiffnesses of layered materials and the interfacial interactions at the sliding incommensurate interfaces of heterojunctions for structural superlubricity, we propose criteria for predicting structural superlubricity between heterojunctions.

Parity-Dependent Moiré Superlattices in Graphene/h-BN Heterostructures: A Route to Mechanomutable Metamaterials.

The superlattice of alternating graphene/h-BN few-layered heterostructures is found to exhibit strong dependence on the parity of the number of layers within the stack. Odd-parity systems show a unique flamingolike pattern, whereas their even-parity counterparts exhibit regular hexagonal or rectangular superlattices. When the alternating stack consists of 7 layers or more, the flamingo pattern becomes favorable, regardless of parity.

Controllable Thermal Conductivity in Twisted Homogeneous Interfaces of Graphene and Hexagonal Boron Nitride.

Thermal conductivity of homogeneous twisted stacks of graphite is found to strongly depend on the misfit angle. The underlying mechanism relies on the angle dependence of phonon-phonon couplings across the twisted interface. Excellent agreement between the calculated thermal conductivity of narrow graphitic stacks and corresponding experimental results indicates the validity of the predictions.

Mechanical and Tribological Properties of Layered Materials under High Pressure: Assessing the Importance of Many-Body Dispersion Effects.

The importance of many-body dispersion effects in layered materials subjected to high external loads is evaluated. State-of-the-art many-body dispersion density functional theory calculations performed for graphite, hexagonal boron nitride, and their heterostructures were used to fit the parameters of a classical registry-dependent interlayer potential. Using the latter, we performed extensive equilibrium molecular dynamics simulations and studied the mechanical response of homogeneous and heterogeneous bulk models under hydrostatic pressures up to 30 GPa.

Strain Engineering Modulates Graphene Interlayer Friction by Moiré Pattern Evolution.

The sliding friction of a graphene flake atop strained graphene substrates is studied using molecular dynamics simulation. We demonstrate that in this superlubric system, friction can be reduced nonmonotonically by applying strain, which differs from previously reported results on various 2D materials. The critical strain needed for significant reduction in friction decreases drastically when the flake size increases.

The Princess and the Nanoscale Pea: Long-Range Penetration of Surface Distortions into Layered Materials Stacks.

The penetration of moiré out-of-plane distortions, formed at the heterogeneous interface of graphene and hexagonal boron nitride (h-BN), into the layered h-BN stack is investigated. For aligned contacts, the estimated characteristic penetration length of ∼4.7 nm suggests that even at the far surface of a ∼25 h-BN layer thick slab stacked atop the contact, a corrugation of ∼0.

Negative Friction Coefficients in Superlubric Graphite-Hexagonal Boron Nitride Heterojunctions.

Negative friction coefficients, where friction is reduced upon increasing normal load, are predicted for superlubric graphite-hexagonal boron nitride heterojunctions. The origin of this counterintuitive behavior lies in the load-induced suppression of the moiré superstructure out-of-plane distortions leading to a less dissipative interfacial dynamics. Thermally induced enhancement of the out-of-plane fluctuations leads to an unusual increase of friction with temperature.