One and Two-dimensional Structures of a New Oxamido Copper(II) Complex with Phthalato Bridged

A new o-phthalato-bridged oxamide copper（Ⅱ） complex 1, {[Cu2（oxap）]（pht）. 4H2O}n （oxap=N, N＇-bis（2-aminopropyl）oxamide, pht= phthalate dianion）, has been prepared and structurally characterized. It crystallizes in monoclinic, space group C2/c with a=23.424（4）, h=7.9696（14）, c=15.727（3）A°,β=129.617（2）°, C16H28Cu2N4O10, Mr=563.50, V=2261.6（7） A°, Z=4, Dc=1.655 g/cm^3, μ（MoKα）=1.939 mm^-1, F（000） = 1160, the final R=0.0393 and wR=0.0928 for 1707 observed reflections with I〉2σ（1）. Single-crystal X-ray analysis reveals that 1 displays a one-dimensional zigzag chain structure, in which each Cu（oxap） moiety adopting trans-conformation is connected by ,μ1,6-phthalate anion bridges, and these zigzag chains are further linked by another ,μ1,6-phthalate anion bridge to form a 2D sheet structure. The polar guest water molecules reside in the inter-and intrasheets to stabilize the whole crystal structure.

Control of light-matter interactions in two-dimensional materials with nanoparticle-on-mirror structures

Light–matter interactions in two-dimensional(2D)materials have been the focus of research since the discovery of graphene.The light–matter interaction length in 2D materials is,however,much shorter than that in bulk materials owing to the atomic nature of 2D materials.Plasmonic nanostructures are usually integrated with 2D materials to enhance the light–matter interactions,offering great opportunities for both fundamental research and technological applications.Nanoparticle-on-mirror(NPo M)structures with extremely confined optical fields are highly desired in this aspect.In addition,2D materials provide a good platform for the study of plasmonic fields with subnanometer resolution and quantum plasmonics down to the characteristic length scale of a single atom.A focused and up-to-date review article is highly desired for a timely summary of the progress in this rapidly growing field and to encourage more research efforts in this direction.In this review,we will first introduce the basic concepts of plasmonic modes in NPo M structures.Interactions between plasmons and quasi-particles in 2D materials,e.g.,excitons and phonons,from weak to strong coupling and potential applications will then be described in detail.Related phenomena in subnanometer metallic gaps separated by 2D materials,such as quantum tunneling,will also be touched.We will finally discuss phenomena and physical processes that have not been understood clearly and provide an outlook for future research.We believe that the hybrid systems of2D materials and NPo M structures will be a promising research field in the future.

Influence of Al Composition on Transport Properties of Two-Dimensional Electron Gas in Al_xGa_(1-x)N/GaN Heterostructures

Magnetotransport properties of two-dimensional electron gases （2DEG） in AlxGa1-x N/GaN heterostructures with different Al compositions are investigated by magnetotransport measurements at low temperatures and in high magnetic fields. It is found that heterostructures with a lower Al composition in the barrier have lower 2DEG concentration and higher 2DEG mobility.

Emerging structures and dynamic mechanisms ofγ-secretase for Alzheimer’s disease

γ-Secretase,called“the proteasome of the membrane,”is a membrane-embedded protease complex that cleaves 150+peptide substrates with central roles in biology and medicine,including amyloid precursor protein and the Notch family of cell-surface receptors.Mutations inγ-secretase and amyloid precursor protein lead to early-onset familial Alzheimer’s disease.γ-Secretase has thus served as a critical drug target for treating familial Alzheimer’s disease and the more common late-onset Alzheimer’s disease as well.However,critical gaps remain in understanding the mechanisms of processive proteolysis of substrates,the effects of familial Alzheimer’s disease mutations,and allosteric modulation of substrate cleavage byγ-secretase.In this review,we focus on recent studies of structural dynamic mechanisms ofγ-secretase.Different mechanisms,including the“Fit-Stay-Trim,”“Sliding-Unwinding,”and“Tilting-Unwinding,”have been proposed for substrate proteolysis of amyloid precursor protein byγ-secretase based on all-atom molecular dynamics simulations.While an incorrect registry of the Notch1 substrate was identified in the cryo-electron microscopy structure of Notch1-boundγ-secretase,molecular dynamics simulations on a resolved model of Notch1-boundγ-secretase that was reconstructed using the amyloid precursor protein-boundγ-secretase as a template successfully capturedγ-secretase activation for proper cleavages of both wildtype and mutant Notch,being consistent with biochemical experimental findings.The approach could be potentially applied to decipher the processing mechanisms of various substrates byγ-secretase.In addition,controversy over the effects of familial Alzheimer’s disease mutations,particularly the issue of whether they stabilize or destabilizeγ-secretase-substrate complexes,is discussed.Finally,an outlook is provided for future studies ofγ-secretase,including pathways of substrate binding and product release,effects of modulators on familial Alzheimer’s disease mutations of theγ-secretase-substrate complexes.Comprehensive understanding of the functional mechanisms ofγ-secretase will greatly facilitate the rational design of effective drug molecules for treating familial Alzheimer’s disease and perhaps Alzheimer’s disease in general.

Designing Electronic Structures of Multiscale Helical Converters for Tailored Ultrabroad Electromagnetic Absorption

Atomic-scale doping strategies and structure design play pivotal roles in tailoring the electronic structure and physicochemical property of electromagnetic wave absorption(EMWA)materials.However,the relationship between configuration and electromagnetic(EM)loss mechanism has remained elusive.Herein,drawing inspiration from the DNA transcription process,we report the successful synthesis of novel in situ Mn/N co-doped helical carbon nanotubes with ultrabroad EMWA capability.Theoretical calculation and EM simulation confirm that the orbital coupling and spin polarization of the Mn–N4–C configuration,along with cross polarization generated by the helical structure,endow the helical converters with enhanced EM loss.As a result,HMC-8 demonstrates outstanding EMWA performance,achieving a minimum reflection loss of−63.13 dB at an ultralow thickness of 1.29 mm.Through precise tuning of the graphite domain size,HMC-7 achieves an effective absorption bandwidth(EAB)of 6.08 GHz at 2.02 mm thickness.Furthermore,constructing macroscale gradient metamaterials enables an ultrabroadband EAB of 12.16 GHz at a thickness of only 5.00 mm,with the maximum radar cross section reduction value reaching 36.4 dB m2.This innovative approach not only advances the understanding of metal–nonmetal co-doping but also realizes broadband EMWA,thus contributing to the development of EMWA mechanisms and applications.

Construction of MnS/MoS_(2) heterostructure on two-dimensional MoS_(2) surface to regulate the reaction pathways for high-performance Li-O_(2) batteries

The inherent catalytic anisotropy of two-dimensional(2D) materials has limited the enhancement of LiO_(2) batteries(LOBs) performance due to the significantly different adsorption energies on 2D and edge surfaces.Tuning the adsorption strength in 2D materials to the reaction intermediates is essential for achieving high-performance LOBs.Herein,a MnS/MoS_(2) heterostructure is designed as a cathode catalyst by adjusting the adsorption behavior at the surface.Different from the toroidal-like discharge products on the MoS_(2) cathode,the MnS/MoS_(2) surface displays an improved adsorption energy to reaction species,thereby promoting the growth of the film-like discharge products.MnS can disturb the layer growth of MoS_(2),in which the stack edge plane features a strong interaction with the intermediates and limits the growth of the discharge products.Experimental and theoretical results confirm that the MnS/MoS_(2) heterostructure possesses improved electron transfer kinetics at the interface and plays an important role in the adsorption process for reaction species,which finally affects the morphology of Li_2O_(2),In consequence,the MnS/MoS_(2) heterostructure exhibits a high specific capacity of 11696.0 mA h g^(-1) and good cycle stability over 1800 h with a fixed specific capacity of 600 mA h g^(-1) at current density of100 mA g^(-1) This work provides a novel interfacial engineering strategy to enhance the performance of LOBs by tuning the adsorption properties of 2D materials.

Symplectic analysis for elastic wave propagation in two-dimensional cellular structures

On the basis of the finite element analysis, the elastic wave propagation in cellular structures is investigated using the symplectic algorithm. The variation principle is first applied to obtain the dual variables and the wave propagation problem is then transformed into two-dimensional （2D） symplectic eigenvalue problems, where the extended Wittrick-Williams algorithm is used to ensure that no phase propagation eigenvalues are missed during computation. Three typical cellular structures, square, triangle and hexagon, are introduced to illustrate the unique feature of the symplectic algorithm in higher-frequency calculation, which is due to the conserved properties of the structure-preserving symplectic algorithm. On the basis of the dispersion relations and phase constant surface analysis, the band structure is shown to be insensitive to the material type at lower frequencies, however, much more related at higher frequencies. This paper also demonstrates how the boundary conditions adopted in the finite element modeling process and the structures＇ configurations affect the band structures. The hexagonal cells are demonstrated to be more efficient for sound insulation at higher frequencies, while the triangular cells are preferred at lower frequencies. No complete band gaps are observed for the square cells with fixed-end boundary conditions. The analysis of phase constant surfaces guides the design of 2D cellular structures where waves at certain frequencies do not propagate in specified directions. The findings from the present study will provide invaluable guidelines for the future application of cellular structures in sound insulation.

Thermal transport in semiconductor nanostructures, graphene,and related two-dimensional materials

We review experimental and theoretical results on thermal transport in semiconductor nanostructures（multilayer thin films, core/shell and segmented nanowires）, single-and few-layer graphene, hexagonal boron nitride, molybdenum disulfide, and black phosphorus. Different possibilities of phonon engineering for optimization of electrical and heat conductions are discussed. The role of the phonon energy spectra modification on the thermal conductivity in semiconductor nanostructures is revealed. The dependence of thermal conductivity in graphene and related two-dimensional（2 D） materials on temperature, flake size, defect concentration, edge roughness, and strain is analyzed.

The Two-dimensional Electromagnetic Scattering from Periodic Chiral Structures and Its Finite Element Approximation

In this paper, we consider the electromagnetic scattering from periodic chiral structures. The structure is periodic in one direction and invariant in another direction. The electromagnetic fields in the chiral medium are governed by the Maxwell equations together with the Drude-Born-Fedorov equations. We simplify the problem to a two-dimensional scattering problem and we show that for all but possibly a discrete set of wave numbers, there is a unique quasi-periodic weak solution to the diffraction problem. The diffraction problem can be solved by finite element method. We also establish uniform error estimates for the finite element method and the error estimates when the truncation of the nonlocal transparent boundary operators takes place.

The low-temperature mobility of two-dimensional electron gas in AlGaN/GaN heterostructures

To reveal the internal physics of the low-temperature mobility of two-dimensional electron gas （2DEG） in Al- GaN/GaN heterostructures, we present a theoretical study of the strong dependence of 2DEG mobility on Al content and thickness of AlGaN barrier layer. The theoretical results are compared with one of the highest measured of 2DEG mobility reported for AlGaN/GaN heterostructures. The 2DEG mobility is modelled as a combined effect of the scat- tering mechanisms including acoustic deformation-potential, piezoelectric, ionized background donor, surface donor, dislocation, alloy disorder and interface roughness scattering. The analyses of the individual scattering processes show that the dominant scattering mechanisms are the alloy disorder scattering and the interface roughness scattering at low temperatures. The variation of 2DEG mobility with the barrier layer parameters results mainly from the change of 2DEG density and distribution. It is suggested that in AlGaN/GaN samples with a high Al content or a thick AlGaN layer, the interface roughness scattering may restrict the 2DEG mobility significantly, for the AlGaN/GaN interface roughness increases due to the stress accumulation in AlGaN layer.

Structures and Dynamics of a Two-Dimensional Confined Dusty Plasma System

The influence of the confining potential strength and temperature on the structures and dynamics of a two-dimensional (2D) dusty plasma system is investigated through molecular dynamic (MD) simulation. The circular symmetric confining potential leads to the nonuniform packing of particles, that is, an inner core with a hexagon lattice surrounded by a few outer circular shells. Under the appropriate confining potential and temperature, the particle trajectories on middle shells form a series of concentric and nested hexagons due to tangential movements of particles.Mean square displacement, self-diffusion constant, pair correlation function, and the nearest bond are used to characterize the structural and dynamical properties of the system. With the increase of the confining potential, the radial and tangential movements of particles have different behaviors. With the increase of temperature, the radial and tangential motions strengthen, particle trajectories gradually become disordered, and the system gradually changes from a crystal or liquid state to a gas state.

Two-dimensional laser-induced periodic surface structures formed on crystalline silicon by GHz burst mode femtosecond laser pulses

Femtosecond laser pulses with GHz burst mode that consist of a series of trains of ultrashort laser pulses with a pulse interval of several hundred picoseconds offer distinct features in material processing that cannot be obtained by the conventional irradiation scheme of femtosecond laser pulses(single-pulse mode).However,most studies using the GHz burst mode femtosecond laser pulses focus on ablation of materials to achieve high-efficiency and high-quality material removal.In this study,we explore the ability of the GHz burst mode femtosecond laser processing to form laser-induced periodic surface structures(LIPSS)on silicon.It is well known that the direction of LIPSS formed by the single-pulse mode with linearly polarized laser pulses is typically perpendicular to the laser polarization direction.In contrast,we find that the GHz burst mode femtosecond laser(wavelength:1030 nm,intra-pulse duration:220 fs,intra-pulse interval time(intra-pulse repetition rate):205 ps(4.88 GHz),burst pulse repetition rate:200 kHz)creates unique two-dimensional(2D)LIPSS.We regard the formation mechanism of 2D LIPSS as the synergetic contribution of the electromagnetic mechanism and the hydrodynamic mechanism.Specifically,generation of hot spots with highly enhanced electric fields by the localized surface plasmon resonance of subsequent pulses in the bursts within the nanogrooves of one-dimensional LIPSS formed by the preceding pulses creates 2D LIPSS.Additionally,hydrodynamic instability including convection flow determines the final structure of 2D LIPSS.

Highly stable two-dimensional graphene oxide:Electronic properties of its periodic structure and optical properties of its nanostructures

According to first principle simulations, we theoretically predict a type of stable single-layer graphene oxide（C_2O）.Using density functional theory（DFT）, C_2O is found to be a direct gap semiconductor. In addition, we obtain the absorption spectra of the periodic structure of C_2O, which show optical anisotropy. To study the optical properties of C_2O nanostructures, time-dependent density functional theory（TDDFT） is used. The C_2O nanostructure has a strong absorption near 7 eV when the incident light polarizes along the armchair-edge. Besides, we find that the optical properties can be controlled by the edge configuration and the size of the C_2O nanostructure. With the elongation strain increasing, the range of light absorption becomes wider and there is a red shift of absorption spectrum.

Progress on band structure engineering of twisted bilayer and two-dimensional moiré heterostructures

Artificially constructed van der Waals heterostructures(vdWHs)provide an ideal platform for realizing emerging quantum phenomena in condensed matter physics.Two methods for building vdWHs have been developed:stacking two-dimensional(2D)materials into a bilayer structure with different lattice constants,or with different orientations.The interlayer coupling stemming from commensurate or incommensurate superlattice pattern plays an important role in vdWHs for modulating the band structures and generating new electronic states.In this article,we review a series of novel quantum states discovered in two model vdWH systems—graphene/hexagonal boron nitride(hBN)hetero-bilayer and twisted bilayer graphene(tBLG),and discuss how the electronic structures are modified by such stacking and twisting.We also provide perspectives for future studies on hetero-bilayer materials,from which an expansion of 2D material phase library is expected.

Effect of In Composition on Two-Dimensional Electron Gas in Wurtzite AlGaN/InGaN Heterostructures

The effect of In composition on two-dimensional electron gas in wurtzite AlGaN/InGaN heterostructures is theoretically investigated. The sheet carrier density is shown to increase nearly linearly with In mole fraction x, due to the increase in the polarization charge at the AlGaN/InGaN interface. The electron sheet density is enhanced with the doping in the AlGaN layer. The sheet carrier density is as high as 3.7×1013 cm^-2 at the donor density of 10×1018 cm^-3 for the HEMT structure with x=0.3. The contribution of additional donor density on the electron sheet density is nearly independent of the In mole fraction.

Syntheses, Characterization and Crystal Structures of Two-dimensional 4,4′-Bipyridyl Lead Halides, PbI_2(4,4′-bpy) and PbBr_2(4,4′-bpy)

Two-dimensional 4,4-bipyridyllead halides, PbI_2(4,4′-bpy)(1) and PbBr_2(4,4′-bpy)(2), were synthesized. The structures were determined by means of X-ray single crystal diffraction. The structure shows a distorted octahedral configuration with six-coordinated central lead atoms. In crystals 1 and 2, the molecules are packed in a two-dimensional network structure through bridging halide atoms and 4,4′-bipyridine ligands between the adjacent lead atoms.

Three Two-dimensional Heterometallic Chalcogenides[TM(tren)][InSbSe_3S](TM = Fe, Co, Mn): Syntheses,Crystal Structures, and Properties

Three two-dimensional(2-D) heterometallic chalcogenides [TM(tren)][InSbSe_3S](TM = Fe(1), Co(2), Mn(3); tren = tris(2-aminoethyl)-amine) have been solvothermally synthesized in this paper. Single-crystal X-ray analysis indicates that they are isostructural to each other except the different transition metal ions. These compounds contain an unsaturated complex cation [TM(tren)]^(2+), which can be further coordinated by the 2-D [InSbSSe_3]_n^(2n-) anion, resulting in a new neutral organic-decorated heterometallic chalcogenide. These compounds crystallize in monoclinic space group P21/c, with a = 11.768(12), b = 13.884(14), c = 11.095(11) ?, Z = 4, D_c =2.910 Mg·m^(-3), F(000) = 1304, M_r = 707.60 for 1; a = 11.843(9), b = 14.064(10), c = 10.979(8) ?, Z= 4, Dc = 2.875 Mg·m^(-3), F(000) = 1308, M_r = 710.68 for 2; a = 11.969(10), b = 14.191(11), c =11.112(9) ?, Z = 4, D_c = 2.779 Mg·m^(-3), F(000) = 1300, Mr = 706.69 for 3. The maximum and minimum peaks of compounds 1～3 are 6.996 and –2.880 e·?^(-3), 2.242 and –3.066 e·?^(-3), 3.655 and –3.569 e·?^(-3), respectively. These compounds were structurally characterized by powder X-ray diffraction measurement, thermal analysis, infrared spectroscopy and UV-Vis diffuse reflectance spectroscopy. A solid-state UV/Vis reflectance spectroscopy measurement on 1, 2 and 3 confirmed that these compounds are semiconductor materials.

Giant Rashba-like spin-orbit splitting with distinct spin texture in two-dimensional heterostructures

Based on first-principles density functional theory calculation,we discover a novel form of spin-orbit(SO)splitting in two-dimensional(2D)heterostructures composed of a single Bi(111)bilayer stacking with a 2D semiconducting In_(2)Se_(2) or a 2D ferroelectricα-In_(2)Se_(3) layer.Such SO splitting has a Rashba-like but distinct spin texture in the valence band around the maximum,where the chirality of the spin texture reverses within the upper spin-split branch,in contrast to the conventional Rashba systems where the upper branch and lower branch have opposite chirality solely in the region below the band crossing point.The ferroelectric nature ofα-In_(2)Se_(3) further enables the tuning of the spin texture upon the reversal of the electric polarization with the application of an external electric field.Detailed analysis based on a tight-binding model reveals that such SO splitting texture results from the interplay of complex orbital characters and substrate interaction.This finding enriches the diversity of SO splitting systems and is also expected to promise for spintronic applications.

Syntheses and Crystal Structures of Two Two-dimensional Coordination Polymers with 2,3-Dimethylpyrazine-1,4-dioxide and Thiocyanate as Mixed Bridge Ligands

Two two-dimensional coordination polymers, [Cd（μ1,3-SCN-）2（μ1,6-L）]n 1 and [Co（μ1,3-SCN-）2（μ1,6-L）]n 2, have been synthesized with 2,3-dimethylpyrazine-1,4-dioxide （L） and thiocyanate as mixed bridging ligands, and their crystal structures were determined by X-ray crystallography. Both crystals belong to monoclinic system, space group C2/c. The other crystal parameters are as follows： for complex 1： α = 9.732（3）, b =14.658（5）, c = 8.811（3） A, β = 102.935（4）°, Z = 4, V= 1225.1（7） A^3, C8H8CdN4O2S2, Mr = 368.71, Dc = 1.999 g/cm^3, F（000） = 720 and μ= 2.117 mm^-1; for complex 2： α = 9.528（7）, b = 14.563（11）, c = 8.415（6） A, β= 102.195（9）°, V= 1141.3（14） A^3, Z = 4, C8H8CoN4O2S2, Mr = 315.23, Dc = 1.835 g/cm^3, F（000） = 636 and μ = 1.863 mm^-1. The two complexes show similar two-dimensional sheet structures. Along the c axis one-dimensional chains are constructed by the coordination of Cd（Ⅱ） （or Co（Ⅱ）） ions with μ1,6-L bridging ligand, and the μ1,3-SCN- bridging ligands make the chains connect to each other, resulting in the formation of a two-dimensional sheet on the ac plane.

Surface Plasmon Polaritons of Two-Dimensional Three-Order Dendritic Structures

We study surface plasmon polaritons excited on two-dimensional three-order dendritic structures. Previous studies show that split ring resonators （SRRs） can be used to obtain magnetic resonance, thus sustairdng surface waves behaving like surface plasmon polaritons （SPPs）. In this paper, we obtain detailed results on surface plasmon polaritons of several different grating structures and theoretically prove that this kind of structures can sustain SPPs. Besides, since dendritic structures can be fabricated by double template-assisted electrochemical deposition, it is worth noting that fabrication of SPP-based materials might be much easier.