Synergy of I-Cl co-occupation on halogen-rich argyrodites and resultant dual-layer interface for advanced all-solid-state Li metal batteries

The(electro)chemical stability and Li dendrite suppression capability of sulfide solid electrolytes(SEs)need further improvement for developing all-solid-state Li batteries(ASSLBs).Here,we report advanced halogen-rich argyrodites via I and Cl co-occupation on the crystal lattice.Notably,a proper I content forms a single phase,whereas an excessive I causes precipitation of two argyrodite phases like a superlattice structure.The resultant synergistic effect of the optimized composition allows to gain high ionic conductivities at room temperature and-20℃,and enhances the(electro)chemical stability against Li and Li dendrite suppression capability.The Li|argyrodite interface is very sensitive to the ratio of I and Cl.A LiCl-and LiI-rich double-layer interface is observed from the cell using the SE with optimized composition,whereas too high I content forms only a single interface layer with a mixture of Lil and LiCl.This double-layer interface is found to effectively mitigate the Li/SE reaction.The proper designed argyrodite enables ASSLBs to achieve good electrochemical properties at a broad temperature range regardless of the electrode materials.This co-occupation strategy provides a novel exploration for advanced halogen-rich argyrodite system.

Mechanical Behavior and Microstructure Evolution during Tensile Deformation of Twinning Induced Plasticity Steel Processed by Warm Forgings

The mechanical behavior and microstructural evolution of an Fe-30Mn-3Al-3Si twinninginduced plasticity(TWIP)steel processed using warm forging was investigated.It is found that steel processed via warm forging improves comprehensive mechanical properties compared to the TWIP steel processed via cold rolling,with a high tensile strength(R_(m))of 793 MPa,a yield strength(R_(P))of 682 MPa,an extremely large R_(P)/R_(m)ratio as high as 0.86 as well as an excellent elongation rate of 46.8%.The microstructure observation demonstrates that steel processed by warm forging consists of large and elongated grains together with fine,equiaxed grains.Complicated micro-defect configurations were also observed within the steel,including dense dislocation networks and a few coarse deformation twins.As the plastic deformation proceeds,the densities of dislocations and deformation twins significantly increase.Moreover,a great number of slip lines could be observed in the elongated grains.These findings reveal that a much more dramatic interaction between microstructural defect and dislocations glide takes place in the forging sample,wherein the fine and equiaxed grains propagated dislocations more rapidly,together with initial defect configurations,are responsible for enhanced strength properties.Meanwhile,larger,elongated grains with more prevalently activated deformation twins result in high plasticity.

Influence of High-Pressure Induced Lattice Dislocations and Distortions on Thermoelectric Performance of Pristine SnTe

As a sister compound of PbTe, SnTe possesses the environmentally friendly elements. However, the pristine SnTe compounds suffer from the high carrier concentration, the large valence band offset between the L and Σpositions and high thermal conductivity. Using high-pressure and high-temperature technology, we synthesized the pristine SnTe samples at different pressures and systemically investigated their thermoelectric properties.High pressure induces rich microstructures, including the high-density dislocations and lattice distortions, which serve as the strong phonon scattering centers, thereby reducing the lattice thermal conductivity. For the electrical properties, pressure reduces the harmful high carrier concentration, due to the depression of Sn vacancies.Moreover, pressure induces the valence band convergence, reducing the energy separation between the L and Σpositions. The band convergence and suppressed carrier concentration increase the Seebeck coefficient. Thus, the power factors of pressure-sintered compounds do not deteriorate significantly under the condition of decreasing electrical conductivity. Ultimately, for a pristine SnTe compound synthesized at 5 GPa, a higher ZT value of 0.51 is achieved at 750 K, representing a 140% improvement compared to the value of 0.21 obtained using SPS. Therefore, the high-pressure and high-temperature technology is demonstrated as an effectively approach to optimize thermoelectric performance.

Carbon-Based Flexible and All-Solid-State Micro-supercapacitors Fabricated by Inkjet Printing with Enhanced Performance

By means of inkjet printing technique, flexible and all-solid-state micro-supercapacitors(MSCs) were fabricated with carbon-based hybrid ink composed of graphene oxide(GO,98.0vol.%) ink and commercial pen ink(2.0vol.%). A small amount of commercial pen ink was added to effectively reduce the agglomeration of theGO sheets during solvent evaporation and the following reduction processes in which the presence of graphite carbon nanoparticles served as nano-spacer to separate GO sheets. The printed device fabricated using the hybrid ink,combined with the binder-free microelectrodes and interdigital microelectrode configuration, exhibits nearly 780%enhancement in areal capacitance compared with that of pure GO ink. It also shows excellent flexibility and cycling stability with nearly 100% retention of the areal capacitance after 10,000 cycles. The all-solid-state device can be optionally connected in series or in parallel to meet the voltage and capacity requirements for a given application.This work demonstrates a promising future of the carbonbased hybrid ink for directly large-scale inkjet printing MSCs for disposable energy storage devices.

High performance room temperature all-solid-state Na-SexS battery with Na3SbS4-coated cathode via aqueous solution

All-solid-state(ASS)Na-S batteries are promising for large-scale energy storage because of the incombustible solid electrolyte and avoiding the dissolution of intermediates.However,the poor contact between the active material and the solid electrolyte in the positive electrode leads to poor electrochemical performance.Here,we report an aqueous solution approach to fabricate Na3SbS4-coated SexS-based active materials for a Na-S battery working at room temperature.Compared with the Na3SbS4 and SexS mixed cathode,the coated cathode achieves significantly improved Na-ion diffusion kinetics and reduced impedance resistance.Additionally,the nanoparticle coating sustains the volume expansion of the cathode during cycling.The resulting batteries deliver an intensively enhanced specific capacity at various rates.Regardless of the mass loading,the Na3SbS4-coated cathode maintains a decent reversible capacity for the long-term discharge/charge cycling.The best battery achieves an initial discharge capacity of509 mAh g^-1 at a current density of 437.4 mA g^-1 and capacity retention of 98.9%for 100 cycles.To the best of our knowledge,this is one of the best room temperature ASS Na-S battery so far.This work demonstrates that Na3SbS4 is very promising for the cathode coating purpose for ASS Na-S batteries.

Influence of Dzyaloshinskii-Moriya and Kaplan-Shekhtman-Entinwohlman-Aharony superexchange interactions on ground state properties of the one-dimensional spin-Peilers model in open chain

The effects of the Dzyaloshinskii Moriya （DM） and the Kaplan-Shekhtman-Entinwohlman-Aharony （KSEA） superexchange interactions on the ground state properties of the one-dimensional spin-Peilers system in open chain are studied by using the Lanczos numerical method. The study concentrates mainly on the influence of systemic dimerisation in open chain. The results show that systemic ground state energy density varies with dimerisation parameter 5 in different DM interactions, and there exists a special point 5c where the DM interaction has no influence on the systemic dimerisation, no matter whether the DM interaction is relative or irrelative to systemic dimerisation （η= 1 or η=0）. The KSEA interaction has no fixed special point, but the points of intersection are dense relatively in a certain numberical value range, and sparse in other numberical value ranges. So we can conclude that the antisymmetric anisotropy DM interaction differs from the symmetric anisotropy KSEA interaction, but they are analogous in the sense of the influence of systemic dimerisation in open chain.

Electronic States and Spatial Charge Distribution of Single Mn Impurity in Diluted Magnetic Semiconductors

电子并且磁性以及在 III-V 的单个 Mn 杂质的空间费用分发冲淡了当 p 轨道的退化作出贡献从时，磁性的半导体被获得四象(N) 原子在附近附近被考虑。当时，我们证明处于 groung 状态， Mn 旋转 antiferromagnetically 强烈被联合到作为(N) 原子包围 p - d 杂交 V-pd 大并且两杂质水平编辑接近的洞水平 E-vand 费密精力。Mnacceptor 在的空间费用分发(110 ) 飞机是非球状地对称的，在对最近的 STMimages 的好同意。

Preparation of Mg55Ni35Si10 Amorphous Powders by Mechanical Alloying and Consolidation by Vacuum Hot Pressing

非结晶的 Mg55Ni35Si10 粉末被使用一种机械 alloying 技术制作。非结晶的粉末被发现展出 380 度 C 的相对高的结晶化温度。当工厂非结晶的 Mg55Ni35Si10 粉末被真空 sucessfully 巩固进体积身体热紧迫技术。有限 nanocrystallization 被注意。Mg55Ni35Si10 体积样品的 Vickersmicrohardness 范围是 7834 ～ 8048 MPa。它弯曲和压缩力量分别地是 529 MPa 和 1466 Mpa。

Variational Monte Carlo study of the nematic state in iron-pnictide superconductors with a five-orbital model

We perform a variational Monte Carlo study of the nematic state in iron-pnictide superconductors within a realistic five-orbital model. Our numerical results show that the nematic state, formed by introducing an anisotropic hopping order into the projected wave function, is not stable unless the off-site Coulomb interaction V exceeds a critical value. This demonstrates that V plays a key role in forming the nematic state in iron-pnictide superconductors. In the nematic state,the orbital order and the anisotropic spin correlations are consistent with the experimental observations. We argue that the experimentally observed anisotropic magnetic couplings and structural transition are associated with the nematic state and can be understood in a unified framework.

ANOMALOUSLY AMPLITUDE DEPENDENT EFFECT OF THE LOW-TEMPERATURE INTERNAL-FRICTION PEAKS IN COLD-WORKED DILUTE ALUMINIUM-COPPER SOLID SOLUTION

The composite internal friction peak(versus temperature)assumed to be consisted of a relaxation peak and a phase transformation peak previously observed in cold-worked Al-0.50wt%(0.21at%)Cu at temperatures below room temperature are now resolved into two separate peaks.Internal friotion peaks as a function of strain amplitude(the amplitude peak)are observed around the temperature region of both peaks for he first time.

Efficient Tunable All-Solid-state Pyrromethene Dye Laser Pumped by a Laser-Diode Pumped Nd:YAG Laser

Efficient and stable laser dyes pyrromethene-BF2 complexes were successfully incorporated into organically modified silicate(Ormosil)matrices via sol-gel process.Laser oscillation were easily observed in all hand-polished dye-doped Ormosils pumped by frequency-doubled radiation from a laser-diode pumped Q-switched Nd:YAG laser.A slope efficiency of 57% has been obtained from one of the dyes in Ormosil,the cavity was continuously tunable over 50nm,from 550 to 600nm.The laser output energy has only 10% reduction after 3.0×10^(4) pulses at a pump repetition rate of 30Hz and a pump intensity of 1 J/cm^(2).An efficient,all-solid-state,compact,long-lifetime,and tunable dye laser has been demonstrated.

Tribological performance under different environments of Ti-C-N composite films for marine wear-resistant parts

The need for reducing the wear in mechanical parts used in the industry makes self-lubricant films one of the sustainable solutions to achieve long-term protection under different environmental conditions.The purpose of this work is to study the influence of C additions on the tribological behavior of a magnetron-sputtered TiN film in air,water,and seawater.The results show that the addition of C into the TiN binary film induced a new amorphous phase,and the films exhibited a dual phase of fcc(face-centered cubic)-TiN and amorphous carbon.The antifriction and wear-resistance properties were enhanced in air and water by adding 19.1at%C.However,a further increase in the C concentration improved anti-frictional properties but also led to higher wear rates.Although the amorphous phase induced microbatteries and accelerated the corrosion of TiN phases in seawater,the negative abrasion state was detected for all Ti-C-N films due to the adhesion of the tribocorrosion debris on the wear track.

A Polymeric/Inorganic Nanocomposite for Solid-State Dye-Sensitized Solar Cells

A novel nanocomposite consisting of poly （3, 4-ethylenedioxythiophene）/poly （styre-nesulfonate） （PEDOT/PSS） and CuI was synthesized via the reduction of CuCl2 by NaI in an aqueous PEDOT/PSS solution. The CuI in the composite was pure γ-phase, as was characterized by means of X-ray photoelectron spectroscopy （XPS）, X-ray diffraction （XRD） and transmission electron microscopy （TEM）. The dye-sensitized solar cell with PEDOT/PSS-CuI （15% in wt） nanocomposlte as hole-transport electrolyte exhibited a considerable photocurrent, photovoltage and energy conversion efficiency （i.e. Jsc = 0.50 mA·cm^-2, Voc = 0.44 V, η= 0.1%）.

Solid-State Reaction and Vacancy-Type Defects in Bilayer Fe/Hf Studied by the Slow Positron Beam

The positron annihilation lifetimes and the Doppler broadening by slow positron beam are measured in thin Fe films with thickness 500 nm, a thin Hf film with thickness 100 nm, and the bilayer Fe (50 nm)/Hf (50 nm) on quartz glass substrate. We have analyzed the behavior in vacancy-type defects in each layer through some deposition temperatures and annealing. It is observed that the thin Fe film, the thin Hf film, and the bilayer Fe (50 nm)/Hf (50 nm) already contain many vacancy-type defects. We have investigated the change of densities of the vacancy-carbon complex and the small vacancy-cluster with carbons, through solid-state amorphization of Fe (50 nm)/Hf (50 nm) bilayer.

Activated dissociation of H_(2) on the Cu(001)surface:The role of quantum tunneling

The activation and dissociation of hydrogen molecules(H_(2))on the Cu(001)surface are studied theoretically.Using first-principles calculations,the activation barrier for the dissociation of H_(2) on Cu(001)is determined to be~0.59 eV in height.It is found that the electron transfer from the copper substrate to H_(2) plays a key role in the activation and breaking of the H–H bond,and the formation of the Cu–H bonds.Two stationary states are identified at around the critical height of bond breaking,corresponding to the molecular and the dissociative states,respectively.Using the transfer matrix method,we also investigate the role of quantum tunneling in the dissociation process along the minimum energy pathway(MEP),which is found to be significant at or below room temperature.At a given temperature,the tunneling contributions due to the translational and the vibrational motions of H_(2) are quantified for the dissociation process.Within a wide range of temperature,the effects of quantum tunneling on the effective barriers of dissociation and the rate constants are observed.The deduced energetic parameters associated with the thermal equilibrium and non-equilibrium(molecular beam)conditions are comparable to experimental data.In the low-temperature region,the crossover from classical to quantum regime is identified.

Structural, electronic and magnetic properties of Fe-doped strontium ruthenates

By employing a combined approach of density-functional theory(DFT) and dynamical mean-field theory(DMFT) calculations, we examine the structural, electronic, and magnetic characteristics of two distinct strontium ruthenates: Sr2RuO4,an unconventional superconductor, and the correlated metal SrRuO3, both at 50% Fe-doping level. In both Sr2Fe0.5Ru0.5O4and SrFe0.5Ru0.5O3, the original ruthenium(Ru) and the dopant iron(Fe) atoms adopt 3-dimensional and 2-dimensional G-type structures, respectively. The hybridization between Fe-3d and Ru-4d is comparatively weaker than in other double perovskite systems. The interplay between strong correlations and reduced itinerancy results in significant spin splitting at Fe and Ru sites. Consequently, a charge transfer process, along with the super-exchange effect, leads to antiferromagnetically coupled Fe3+and Ru5+ions and establishes a semiconducting ferrimagnetic order. Subsequent DMFT calculations demonstrate the persistence of the ferrimagnetic order even at room temperature(300 K). These findings align with prior reports on Sr Fe0.5Ru0.5O3, thus reinforcing the notion that 3d–4d transition metal oxides hold considerable promise as candidates for high-performance spintronic devices, such as spin-valve sensors and spintronic giant magnetoresistance devices.

Dynamic modeling of total ionizing dose-induced threshold voltage shifts in MOS devices

The total ionizing dose(TID) effect is a key cause for the degradation/failure of semiconductor device performance under energetic-particle irradiation. We developed a dynamic model of mobile particles and defects by solving the rate equations and Poisson's equation simultaneously, to understand threshold voltage shifts induced by TID in silicon-based metal–oxide–semiconductor(MOS) devices. The calculated charged defect distribution and corresponding electric field under different TIDs are consistent with experiments. TID changes the electric field at the Si/SiO_(2) interface by inducing the accumulation of oxide charged defects nearby, thus shifting the threshold voltage accordingly. With increasing TID, the oxide charged defects increase to saturation, and the electric field increases following the universal 2/3 power law. Through analyzing the influence of TID on the interfacial electric field by different factors, we recommend that the radiation-hardened performance of devices can be improved by choosing a thin oxide layer with high permittivity and under high gate voltages.

Probing photocarrier dynamics of pressurized graphene using time-resolved terahertz spectroscopy

Graphene hosts intriguing photocarrier dynamics such as negative transient terahertz(THz) photoconductivity, high electron temperature, benefiting from the unique linear Dirac dispersion. In this work, the pressure effects of photocarrier dynamics of graphene have been investigated using in situ time-resolved THz spectroscopy in combination with diamond anvil cell exceeding 9 GPa. We find that the negative THz conductivity maintains in our studied pressure range both for monolayer and bilayer graphene. In particular, the amplitude of THz photoconductivity in monolayer graphene manifests an extraordinary dropping with pressure, compared with that from the counterparts such as bulk silicon and bilayer graphene.Concomitantly, the time constant is reduced with increasing pressure, highlighting the pressure-induced hot carrier cooling.The pressure dependence of photocarrier dynamics in monolayer graphene is likely related with the enhancement of the interfacial coupling between diamond surface and sample, allowing for the activity of new electron–phonon scattering. Our work is expected to provide an impetus for the studies of high-pressure THz spectroscopy of two-dimensional materials.

Quantum tunneling in the surface diffusion of single hydrogen atoms on Cu(001)

The adsorption and diffusion of hydrogen atoms on Cu(001)are studied using first-principles calculations.By taking into account the contribution of zero-point energy(ZPE),the originally identical barriers are shown to be different for H and D,which are respectively calculated to be~158 me V and~139 me V in height.Using the transfer matrix method(TMM),we are able to calculate the accurate probability of transmission across the barriers.The crucial role of quantum tunneling is clearly demonstrated at low-temperature region.By introducing a temperature-dependent attempting frequency prefactor,the rate constants and diffusion coefficients are calculated.The results are in agreement with the experimental measurements at temperatures from~50 K to 80 K.

Physical Origin of Color Changes in Lutetium Hydride under Pressure

Recently,near-ambient superconductivity was claimed in nitrogen-doped lutetium hydride(LuH_(3-δ)N_(ε)).Unfortunately,all follow-up research still cannot find superconductivity signs in successfully synthesized lutetium dihydride(LuH_(2)) and N-doped LuH_(2±x)N_(y).However,a similar intriguing observation was the pressure-induced color changes(from blue to pink and subsequent red).The physical understanding of its origin and the correlation between the color,crystal structure,and chemical composition of Lu–H–N is still lacking.In this work,we systematically investigated the optical properties of LuH_(2) and LuH_(3),and the effects of hydrogen vacancies and nitrogen doping using the first-principles calculations by considering both interband and intraband contributions.Our results demonstrate that the evolution of reflectivity peaks near blue and red light,which is driven by changes in the band gap and Fermi velocity of free electrons,resulting in the blue-to-red color change under pressure.In contrast,LuH_(3) exhibits gray and no color change up to 50 GPa.Furthermore,we investigated the effects of hydrogen vacancies and nitrogen doping on its optical properties.Hydrogen vacancies can significantly decrease the pressure of blue-to-red color change in LuH_(2) but do not have a noticeable effect on the color of LuH_(3).The N-doped LuH_(2) with the substitution of a hydrogen atom at the tetrahedral position maintains the color change when the N-doping concentration is low.As the doping level increases,this trend becomes less obvious,while other N-doped structures do not show a blue-to-red color change.Our results can clarify the origin of the experimental observed blue-to-red color change in lutetium hydride and also provide a further understanding of the potential N-doped lutetium dihydride.