A MoS2 and Graphene Alternately Stacking van der Waals Heterostructure for Li+/Mg2+ Co-Intercalation

Owing to the low-cost, dendrite-free formation, and high volumetric capacity, rechargeable Li⁺/Mg²⁺ hybrid-ion batteries (LMIBs) have attracted great attention and are regarded as promising energy storage devices. However, due to the strong Coulombic interaction of Mg²⁺ with host materials, the traditional “Daniell Type” LMIBs with only Li⁺ intercalation usually cannot ensure a satisfactory energy density. Herein, graphene monolayers are arranged intercalating into MoS₂ interlamination to construct van der Waals heterostructures (MoS₂/G VH). This operation transforms the construction of ion channels from pristine interlamination of two MoS₂ monolayers to the interlamination of MoS₂ monolayer with graphene monolayer, thereby greatly reducing ion diffusion energy barriers. Compared with pristine MoS₂, the MoS₂/G VH can obviously reduce the migration energy barriers of Li⁺ (from 0.67 to 0.09 eV) and Mg²⁺ (from 1.01 to 0.21 eV). Moreover, it is also demonstrated that MoS₂/G VHs realize Li⁺/Mg²⁺ co-intercalation even at a rate current of 1000 mA g⁻¹. As expected, the MoS₂/G VH exhibits superior electrochemical performance with a reversible capacity of 145.8 mAh g⁻¹ at 1000 mA g⁻¹ after 2200 cycles, suggesting the feasibility of potential applications for high-performance energy storage devices.     

A computational model for molecular interactions between curved slender fibers undergoing large 3D deformations with a focus on electrostatic,van der Waals,and repulsive steric forces

This contribution proposes the first three-dimensional (3D) beam-beam interaction model for molecular interactions between curved slender fibers undergoing large deformations. While the general model is not restricted to a specific beam formulation, in the present work, it is combined with the geometrically exact beam theory and discretized via the finite element method. A direct evaluation of the total interaction potential for general 3D bodies requires the integration of contributions from molecule or charge distributions over the volumes of the interaction partners, leading to a six-dimensional integral (two nested 3D integrals) that has to be solved numerically. Here, we propose a novel strategy to formulate reduced section-section interaction laws for the resultant interaction potential between a pair of cross-sections of two slender fibers such that only two one-dimensional integrals along the fibers' length directions have to be solved numerically. This section-section interaction potential (SSIP) approach yields a significant gain in efficiency, which is essential to enable the simulation of relevant time and length scales for many practical applications. In a first step, the generic structure of SSIP laws, which is suitable for the most general interaction scenario (eg, fibers with arbitrary cross-section shape and inhomogeneous atomic/charge density within the cross-section) is presented. Assuming circular, homogeneous cross-sections, in a next step, specific analytical expressions for SSIP laws describing short-range volume interactions (eg, van der Waals (vdW) or steric interactions) and long-range surface interactions (eg, Coulomb interactions) are proposed. Besides ready-to-use expressions for the total interaction potential, also the resulting virtual work contributions, its finite element discretizations, as well as a suitable numerical regularization for the limit of zero separation are derived. The validity of the SSIP laws, as well as the accuracy and robustness of the general SSIP approach to beam-beam interactions, is thoroughly verified by means of a set of numerical examples considering steric repulsion, electrostatic, or vdW adhesion.     

Thermoelectric transport in graphene and 2D layered materials

ABSTRACT

In early 90s, Hicks and Dresselhaus proposed that low dimensional materials are advantages for thermoelectric applications due to the sharp features in their density-of-states, resulting in a high Seebeck coefficient and, potentially, in a high thermoelectric power factor. Two-dimensional (2D) materials are the latest class of low dimensional materials studied for thermoelectric applications. The experimental exfoliation of graphene, a single-layer of carbon atoms in 2004, triggered an avalanche of studies devoted to 2D materials in view of electronic, thermal, and optical applications. One can mix and match and stack 2D layers to form van der Waals hetero-structures. Such structures have extreme anisotropic transport properties. Both in-plane and cross-plane thermoelectric transport in these structures are of interest. In this short review article, we first review the progress achieved so far in the study of thermoelectric transport properties of graphene, the most widely studied 2D material, as a representative of interesting in-plane thermoelectric properties. Then, we turn our attention to the layered materials, in their cross-plane direction, highlighting their role as potential structures for solid-state thermionic power generators and coolers.     

Acoustical parameters of polyethylene glycol/water mixtures

Ultrasonic velocity (v) and density (d) have been measured for polyethylene glycol/water mixtures at 30°C. The adiabatic compressibility (β _ad), molar compressibility (β), specific acoustic impendance (Z), Rao number (R) and van der Waals constant (b) have been computed. The variations ofv, d, β _ad,β, Z, R andb with mole ratio of water/ether group oxygen have been studied. The association between the components and the formation of tetrahydrate have been reported.     

Polarity‐Controlled Attachment of Cytochrome C for High‐Performance Cytochrome C/Graphene van der Waals Heterojunction Photodetectors

Biomolecule/graphene van der Waals heterojunction provides a generic platform for designing high‐performance, flexible, and scalable optoelectronics. A key challenge is, in controllable attachment, the biomolecules to form a desired interfacial electronic structure for a high‐efficiency optoelectronic process of photoabsorption, exciton dissociation into photocarriers, carrier transfer, and transport. Here, it is shown that a polarity‐controlled attachment of the Cytochrome c (Cyt c) biomolecules can be achieved on the channel of graphene field effect transistors (GFET). High‐efficiency charge transfer across the formed Cyt c/graphene interface is demonstrated when Cyt c attaches with positively charged side to GFET as predicted by molecular dynamics simulation and confirmed experimentally. This Cyt c/GFET van der Waals heterojunction nanohybrid photodetector exhibits a spectral photoresponsivity resembling the absorption spectrum of the Cyt c, confirming the role of Cty c as the photosensitizer in the device. The high visible photoresponsivity up to 7.57 × 10⁴ A W^?1 can be attributed to the high photoconductive gain in exceeding 10⁵ facilitated by the high carrier mobility in graphene. This result therefore demonstrates a viable approach in synthesis of the biomolecule/graphene van der Waals heterojunction optoelectronics using polarity‐controlled biomolecule attachment, which can be expanded for on‐chip printing of high‐performance molecular optoelectronics.     

The number of measurements of a surface’s topography and the expected variation in adhesion to the surface

Variations in roughness on a surface spawn variations in adhesion force between the surface and any particles that contact the surface. To fully characterize the adhesion that will be exhibited when a particle contacts any location on the surface, it is desirable to map the surface with nanoscale detail. Since it is impractical to make nanoscale roughness measurements over the entirety of a surface with a characteristic dimension on the order of centimeters, a relationship between the number of surface measurements and the likely variation in the expected adhesion force is similarly desirable. In this work, the predicted van der Waals force was used to describe the particle adhesion force. The bootstrap statistical method was employed to estimate the error associated with the predicted mean adhesion force between a smooth spherical particle and a rough surface as a function of the number of locations on the surface where the roughness was measured. Specifically, 40 atomic force microscope (AFM) topographical scans (5 × 5 μm) were taken of three different surfaces and used as model surface inputs to an existing van der Waals adhesion force simulator. The simulator described the expected adhesion force resulting from 1200 contacts between the smooth, spherical particle (10 μm diameter) and random locations on each scanned area. After analyzing the results using the bootstrap method, it was determined that the adhesion between the particle and 10–15 scanned areas (out of 40) optimizes the accuracy of the predicted adhesion with respect to the researcher’s labor.     

Van der Waals Integration Based on Two-Dimensional Materials for High-Performance Infrared Photodetectors

Infrared photodetectors have been widely applied in various fields, including thermal imaging, biomedical imaging, and communication. Van der Waals (vdW) integration based on 2D materials provides a new solution for high-performance infrared photodetectors due to the versatile device configurations and excellent photoelectric properties. In recent years, great progress has been made in infrared photodetectors based on vdW integration. In this review, recent progress in vdW integration-based infrared photodetectors is presented. First, the working mechanisms and advantages of photodetectors with different structures and band alignments are presented. Then, the recent progress of vdW integration-based infrared photodetectors is reviewed, focusing on 2D/nD (n  =  0, 1, 2, 3) vdW integration, and the band engineering as well as the performance of the photodetectors are discussed in detail. Finally, a summary is delivered, and the challenges and future directions of vdW integration-based infrared photodetectors are provided.     

Strong Interlayer Transition in Few-Layer InSe/PdSe2 van der Waals Heterostructure for Near-Infrared Photodetection

Near infrared (NIR) photodetectors based on 2D materials are widely studied for their potential application in next generation sensing, thermal imaging, and optical communication. Construction of van der Waals (vdWs) heterostructure provides a tremendous degree of freedom to combine and extend the features of 2D materials, opening up new functionalities on photonic and optoelectronic devices. Herein, a type-II InSe/PdSe₂ vdWs heterostructure with strong interlayer transition for NIR photodetection is demonstrated. Strong interlayer transition between InSe and PdSe₂ is predicted via density functional theory calculation and confirmed by photoluminance spectroscopy and Kelvin probe force microscopy. The heterostructure exhibits highly sensitive photodetection in NIR region up to 1650 nm. The photoresponsivity, detectivity, and external quantum efficiency at this wavelength respectively reaches up to 58.8 A W⁻¹, 1 × 10¹⁰ Jones, and 4660%. The results suggest that the construction of vdWs heterostructure with strong interlayer transition is a promising strategy for infrared photodetection, and this work paves the way to developing high-performance optoelectronic devices based on 2D vdWs heterostructures.     

Tunable Néel–Bloch Magnetic Twists in Fe3GeTe2 with van der Waals Structure

The advent of ferromagnetism in 2D van der Waals (vdW) magnets has stimulated high interest in exploring topological magnetic textures, such as skyrmions for use in future skyrmion-based spintronic devices. To engineer skyrmions in vdW magnets by transforming Bloch-type magnetic bubbles into Néel-type skyrmions, a heavy metal/vdW magnetic thin film heterostructure has been made to induce interfacial Dzyaloshinskii–Moriya interaction (DMI). However, the unambiguous identification of the magnetic textures inherent to vdW magnets, for example, whether the magnetic twists (skyrmions/domain walls) are Néel- or Bloch-type, is unclear. Here we demonstrate that the magnetic twists can be tuned between Néel and Bloch-type in the vdW magnet Fe₃GeTe₂ (FGT) with/without interfacial DMI. We use an in-plane magnetic field to align the modulation wavevector q of the magnetizations in order to distinguish the Néel- or Bloch-type magnetic twists. We observe that q is perpendicular to the in-plane field in the heterostructure (Pt/oxidized-FGT/FGT/oxidized-FGT), while q aligns at a rotated angle with respect to the field direction in the FGT thin plate thinned from bulk. We find that the aligned domain wall twists hold fan-like modulations, coinciding qualitatively with our computational results.     

Novel Polymorph of GaSe

2D GaSe is a semiconductor belonging to the group of post-transition metal chalcogenides with great potential for advanced optoelectronic applications. The weak interlayer interaction in multilayer 2D materials allows the formation of several polymorphs. Here, the first structural observation of a new GaSe polymorph is reported, characterized by a distinct atomic configuration with a centrosymmetric monolayer (D_3d point group). The atomic structure of this new GaSe polymorph is determined by aberration-corrected scanning transmission electron microscopy. Density-functional theory calculations verify the structural stability of this polymorph. Furthermore, the band structure and Raman intensities are calculated, predicting slight differences to the currently known polymorphs. In addition, the occurrence of layer rotations, interlayer relative orientations, as well as translation shear faults is discussed. The experimental confirmation of the new GaSe polymorph indicates the importance of investigating changes in the crystal structure, which can further impact the properties of this family of compounds.