SHORT-RANGE ORDER STRUCTURES OF Fe-Ge AMORPHOUS THIN FILMS

The short-range order structures of Fe_xGe_(1-x) amorphous thin films,(x=8.7,19.1 and 28.5%)have been studied by means of X-ray absorption spectrum.The nearest neighbors around a Ge or an Fe atom are constituted by two coordinate sub-shells with a very short dis- tance,In two films with lower Fe content,structural parameters of the nearest neighbors around a Ge atom are very near to that in amorphous germanium,and the positions of Fe at- oms are randomly substitutional.But when x=28.5%,some great changes occur on the short-range order structure of a-Fe_xGe_(1-x) film:its structure deviates from continuous ran- dora network and tends toward dense random packing of atoms.Meanwhile,there is a strong- er interaction between near neighboring Fe-Ge atoms in a-Fe_xGe_(1-x) films.

The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure

In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.

Effect of long-period stacking ordered structure on very high cycle fatigue properties of Mg-Gd-Y-Zn-Zr alloys

Magnesium alloys with a long-period stacking ordered(LPSO)structure usually possess excellent static strength,but their fatigue behaviors are poorly understood.This work presents the effect of the LPSO structure on the crack behaviors of Mg alloys in a very high cycle fatigue(VHCF)regime.The LPSO lamellas lead to a facet-like cracking process along the basal planes at the crack initiation site and strongly prohibit the early crack propagation by deflecting the growth direction.The stress intensity factor at the periphery of the faceted area is much higher than the conventional LPSO-free Mg alloys,contributing higher fatigue crack propagation threshold of LPSO-containing Mg alloys.Microstructure observation at the facets reveals a layer of ultrafine grains at the fracture surface due to the cyclic contact of the crack surface,which supports the numerous cyclic pressing model describing the VHCF crack initiation behavior.

Stable immobilization of lithium polysulfides using three-dimensional ordered mesoporous Mn_(2)O_(3) as the host material in lithium-sulfur batteries

Lithium-sulfur batteries(LSBs)have drawn significant attention owing to their high theoretical discharge capacity and energy density.However,the dissolution of long-chain polysulfides into the electrolyte during the charge and discharge process(“shuttle effect”)results in fast capacity fading and inferior electrochemical performance.In this study,Mn_(2)O_(3)with an ordered mesoporous structure(OM-Mn_(2)O_(3))was designed as a cathode host for LSBs via KIT-6 hard templating,to effectively inhibit the polysulfide shuttle effect.OM-Mn_(2)O_(3)offers numerous pores to confine sulfur and tightly anchor the dissolved polysulfides through the combined effects of strong polar-polar interactions,polysulfides,and sulfur chain catenation.The OM-Mn_(2)O_(3)/S composite electrode delivered a discharge capacity of 561 mAh g^(-1) after 250 cycles at 0.5 C owing to the excellent performance of OM-Mn_(2)O_(3).Furthermore,it retained a discharge capacity of 628mA h g^(-1) even at a rate of 2 C,which was significantly higher than that of a pristine sulfur electrode(206mA h g^(-1)).These findings provide a prospective strategy for designing cathode materials for high-performance LSBs.

The Disintegration of a Floating Ferrofluid Layer into an Ordered Drop System in a Vertical Magnetic Field

Magnetic fluids,also known as ferrofluids,are versatile functional materials with a wide range of applications.These applications span from industrial uses such as vacuum seals,actuators,and acoustic devices to medical uses,including serving as contrast agents for magnetic resonance imaging(MRI),delivering medications to specific locations within the body,and magnetic hyperthermia for cancer treatment.The use of a non-wettable immiscible liquid substrate to support a layer of magnetic fluid opens up new possibilities for studying various fluid flows and related instabilities in multi-phase systems with both a free surface and an interface.The presence of two deformable boundaries within a ferrofluid layer significantly reduces the critical magnetic field strength required to transform the layer into an organized system of drops or polygonal figures evolving according to the intensity,frequency and direction of the considered magnetic field.This paper experimentally investigates this problem by assuming a uniform magnetic field perpendicular to the surface.This specific subject has not been previously explored experimentally.The critical magnetic field intensity required to destabilize the ferrofluid layer is determined based on the layer’s thickness and the fluid’s initial magnetic susceptibility.It is demonstrated that the critical magnetic field strength needed to disrupt the initially continuous ferrofluid layer increases with the layer’s thickness.Conversely,an increase in the ferrofluid’s magnetic susceptibility results in a decrease in the critical magnetic field strength.The emerging droplet structures are analyzed in terms of the number of drops,their size,and the periodicity of their arrangement.The number of droplets formed depends on the initial thickness of the layer,the presence or absence of a stable rupture in the upper layer,and the rate at which the magnetic field strength is increased to the critical value.A characteristic viscous time is proposed to evaluate the decomposition of the ferrofluid layer,which depends on the duration of the magnetic field’s application.The experimental data on the instability of a ferrofluid layer on a liquid substrate are compared with the theoretical results from the study of“magnetic fluid sandwich structures”conducted by Rannacher and Engel.This comparison highlights the similarities and differences between experimental observations and theoretical predictions,providing a deeper understanding of the behavior of ferrofluid layers under the influence of magnetic fields.

Microstructure and mechanical properties of Mg_(94)Zn_2Y_4 extruded alloy with long-period stacking ordered structure

The microstructure and mechanical properties of Mg94Zn2Y4 extruded alloy containing long-period stacking ordered structures were systematically investigated by SEM and TEM analyses. The results show that the 18R-LPSO structure and α-Mg phase are observed in cast Mg94Zn2Y4 alloy. After extrusion, the LPSO structures are delaminated and Mg-slices with width of 50-200 nm are generated. By ageing at 498 K for 36 h, the ageing peak is attained andβ′phase is precipitated. Due to this novel precipitation, the microhardness ofα-Mg matrix increases apparently from HV108.9 to HV129.7. While the microhardness for LPSO structure is stabilized at about HV145. TEM observations and SAED patterns indicate that the β′ phase has unique orientation relationships betweenα-Mg and LPSO structures, the direction in the close-packed planes ofβ′precipitates perpendicular to that ofα-Mg and LPSO structures. The ultimate tensile strength for the peak-aged alloy achieves 410.7 MPa and the significant strength originates from the coexistence ofβ′precipitates and 18R-LPSO structures.

Long-period stacking ordered structures in Mg-3Cu-1Mn-2Zn-1Y damping alloy

14H, 18R and 24R long-period stacking ordered （LPSO） structures were observed in the as-cast Mg-3Cu-1Mn-2Zn-1Y damping alloy using transmission electron microscopy （TEM）. These LPSO structures contained Mg, Y, Cu and Zn and thus they were quaternary phases. Sharp diffraction pattern of the 24R structure was obtained and the angle between and g10024R was measured to be 5.03°. During high resolution TEM observations, lattice fringes with two characteristic spacings were observed within the 24R structure. Based on the experimental results, 6H, 7H and three 8H are suggested as the building blocks of 18R, 14H and 24R structures, respectively. The 24R unit cell can be interpreted as the stacking of 8H building blocks in the same shear direction with a shear angle of about 5.03°. The imperfect 24R structures are in order or disorder arrangements of principal 8H and minor 6H blocks. This double-block structure model is also applicable to other reported defects in LPSO structures.

Role of Ordering Energy in Formation of Grain Structure and Special Boundaries Spectrum in Ordered Alloys with L12 Superstructure

It was revealed that an average energy of special boundaries is proportional to APB energy in the alloys with the L12 superstructure. This fact proves the appearance of the GAPBs in the planes of location of special boundaries in coincidence sites of ordered alloys. It was determined that the more energy of special boundaries in ordered alloys, the more energy of complex stacking fault. There is a correlation between the distribution of special boundaries as a function its relative energy and ordering energy: the more ordering energy, the more degree of washed away of distribution. The correlation between average relative energy of special boundaries and ordering energy was detected: the more ordering energy, the more average energy of special boundaries. The reverse dependence between ordering energy and average number of special boundaries in grains limited by boundaries of general type was discovered.

Influence of the ordered structure of short-chain polymer molecule all-trans-β-carotene on Raman scattering cross section in liquid

We measured the resonant Raman spectra of all-trans-β-carotene in solvents with different densities and concentrations at different temperatures. The results demonstrated that the Raman scattering cross section （RSCS） of short-chain polymer all-trans-β-carotene is extremely high in liquid. Resonance and strong coherent weakly damped CC bond vibrating properties play important roles under these conditions. Coherent weakly damped CC bond vibration strength is associated with molecular ordered structure. All-trans-β-carotene has highly ordered structure and strong coherent weakly damped CC bond vibrating properties, which lead to large RSCS in the solvent with large density and low concentration at low temperature.

Ultrasmall NiS_(2)Nanocrystals Embedded in Ordered Macroporous Graphenic Carbon Matrix for Efficiently Pseudocapacitive Sodium Storage

Sodium-ion hybrid capacitor(SIHC)is one of the most promising alternatives for large-scale energy storage due to its high energy and power densities,natural abundance,and low cost.However,overcoming the imbalance between slow Na^(+)reaction kinetics of battery-type anodes and rapid ion adsorption/desorption of capacitive cathodes is a significant challenge.Here,we propose the high-rate-performance NiS_(2)@OMGC anode material composed of monodispersed NiS_(2) nanocrystals(8.8±1.7 nm in size)and N,S-co-doped graphenic carbon(GC).The NiS_(2)@OMGC material has a three-dimensionally ordered macroporous(3DOM)morphology,and numerous NiS_(2) nanocrystals are uniformly embedded in GC,forming a core-shell structure in the local area.Ultrafine NiS_(2) nanocrystals and their nano-microstructure demonstrate high pseudocapacitive Na-storage capability and thus excellent rate performance(355.7 mAh/g at 20.0 A/g).A SIHC device fabricated using NiS_(2)@OMGC and commercial activated carbon(AC)cathode exhibits ultrahigh energy densities(197.4 Wh/kg at 398.8 W/kg)and power densities(43.9 kW/kg at 41.3 Wh/kg),together with a long life span.This outcome exemplifies the rational architecture and composition design of this type of anode material.This strategy can be extended to the design and synthesis of a wide range of high-performance electrode materials for energy storage applications.

Microstructure and tribological behavior of Mg-Gd-Zn-Zr alloy with LPSO structure

A Mg-14.28Gd-2.44Zn-0.54Zr （mass fraction, %） alloy was prepared by conventional ingot metallurgy （I/M）. The microstructure differences in as-cast and solution-treated alloys were investigated. Sliding tribological behaviors of the as-cast and solution-treated alloys were investigated under oil lubricant condition by pin-on-disc configuration. The wear loss and friction coefficients were measured at a load of 40 N and sliding speeds of 30-300 mm/s with a sliding distance of 5000 m at room temperature. The results show that the as-cast alloy is mainly composed ofα-Mg solid solution, the lamellar 14H-type long period stacking ordered （LPSO） structure within matrix, andβ-[（Mg,Zn）3Gd] phase. However, most of theβ-phase transforms to X-phase with 14H-type LPSO structure after solution heat treatment at 773 K for 35 h （T4）. The solution-treated alloy presents low wear-resistance, because the hard β-phase is converted into thermally-stable, ductile and soft X-Mg12GdZn phase with LPSO structure in the alloy.

Microstructure evolution during heat treatment of Mg-Gd-Y-Zn-Zr alloy and its low-cycle fatigue behavior at 573K

In as-cast Mg?2.1Gd?1.1Y?0.82Zn?0.11Zr(mole fraction,%)alloy,lamellar microstructures that extend from grain boundaries to the interior ofα-Mg grains are identified as clusters ofγ′using a scanning transmission electron microscope equipped with a high-angle annular dark-field detector.Under a total strain-controlled low-cyclic loading at573K,the mechanical response and failure mechanism of Mg?2.1Gd?1.1Y?0.82Zn?0.11Zr alloy(T6peak-aging heat treatment)were investigated.Results show that the alloy exhibits cyclic softening response at diverse total strain amplitudes and573K.The experimental observations using scanning electron microscopy show that the micro-cracks initiate preferentially at the interface between long-period stacking order structures andα-Mg matrix and extend along the basal plane ofα-Mg.The massive long-period stacking order structures distributed at grain boundaries impede the transgranular propagation of cracks.

Optimizing the power conversion processes in diluted donor/acceptor heterojunctions towards 19.4%efficiency all-polymer solar cells

All polymer solar cells(all-PSCs)promise mechanically-flexible and morphologically-stable organic photovoltaics and have aroused increased interests very recently.However,due to their disorderly conformation structures within the photoactive film,inefficient charge generation and carrier transport are observed which lead to inferior photovoltaic performance compared to smaller molecular acceptor-based photovoltaics.Here,by diluting PM6 with a cutting-edge polymeric acceptor PY-IT and diluting PY-IT with PM6 or D18,donor-dominating or acceptor-dominating heterojunctions were prepared.Synchrotron X-ray and multiple spectrometer techniques reveal that the diluted heterojunctions receive increased structural order,translating to enhanced carrier mobility,improved exciton diffusion length,and suppressed non-radiative recombination loss during the power conversion.As the results,the corresponding PM6+1%PY-IT/PY-IT+1%D18 and PM6+1%PY-IT/PY-IT+1%PM6 devices fabricated by layer-by-layer deposition received superior power conversion efficiency(PCE)of 19.4%and 18.8%respectively,along with enhanced operational lifetimes in air,outperforming the PCE of 17.5%in the PM6/PY-IT reference device.

Hybrid improper ferroelectricity and phase transition behavior of Li_(2)Nd_(2)Ti_(3)O_(10)ceramics with A-site ordered triple-layer Ruddlesden-Popper structure

Hybrid improper ferroelectricity has been extensively reported through theoretical prediction and experimental investigation in the oxides with Ruddlesden-Popper(R-P)structures.However,the experimentally reported ferroelectric materials based on triple-layer R-P structures are rare,and the weak ferroelectricity impedes its practical application.In the present work,the single-phase Li_(2)Nd_(2)Ti_(3)O_(10)ceramics with A-site cation ordered triple-layer R-P structure was obtained by spark plasma sintering technique,and the crystal structure of P2_(1)ab symmetry was revealed by neutron powder diffraction and transmission electron microscope analysis.Furthermore,the switchable ferroelectricity in Li_(2)Nd_(2)Ti_(3)O_(10)ceramics has been observed at room temperature,and the saturated polarization-electric field hysteresis loop was obtained with P_(r)=0.4μC/cm^(2)under the electric field of 250 kV/cm.The phase transition behavior of Li_(2)Nd_(2)Ti_(3)O_(10)oxides was revealed by the temperature-dependence Raman and dielectric spectra combined with the piezoelectric property.

Microstructure and phase composition of as-cast Mg-9Er-6Y-xZn-0.6Zr alloys

The microstructure and phase composition of as-cast Mg-9Er-6Y-xZn-0.6Zr （x=1, 2, 3, 4; normal mass fraction in %） alloys were investigated. In low Zn content, aside from the major second phase of Mg24（Er, Y, Zn）5, there are a few lamellar phases that grow parallel with each other from the grain boundaries to the grain interior. With Zn content increasing, the Mg24（Er, Y, Zn）5 phase decreases, but the Mg12Zn（Y, Er） phase and lamellar phases continuously increase. When Zn content reaches 4% （normal mass fraction）, the Mg12Zn（Y, Er） phase mainly exists as large bulks, and some a-Mg grains are thoroughly penetrated by the lamellar phases. Moreover, the crystallography structures of the Mgl2Zn（Y, Er） and Mg24（Er, Y, Zn）5 phases are confirmed as 18R-type long-period stacking ordered structure and body-centred cubic structure, respectively.

Three‑Dimensional Ordered Mesoporous Carbon Spheres Modified with Ultrafine Zinc Oxide Nanoparticles for Enhanced Microwave Absorption Properties

Currently,electromagnetic radiation and interference have a significant effect on the operation of electronic devices and human health systems.Thus,developing excellent microwave absorbers have a huge significance in the material research field.Herein,a kind of ultrafine zinc oxide(ZnO)nanoparticles(NPs)supported on three-dimensional(3D)ordered mesoporous carbon spheres(ZnO/OMCS)is prepared from silica inverse opal by using phenolic resol precursor as carbon source.The prepared lightweight ZnO/OMCS nanocomposites exhibit 3D ordered carbon sphere array and highly dispersed ultrafine ZnO NPs on the mesoporous cell walls of carbon spheres.ZnO/OMCS-30 shows microwave absorbing ability with a strong absorption(−39.3 dB at 10.4 GHz with a small thickness of 2 mm)and a broad effective absorption bandwidth(9.1 GHz).The outstanding microwave absorbing ability benefits to the well-dispersed ultrafine ZnO NPs and the 3D ordered mesoporous carbon spheres structure.This work opened up a unique way for developing lightweight and high-efficient carbon-based microwave absorbing materials.

Synthesis of a new ordered mesoporous NiMoO_4 complex oxide and its efficient catalytic performance for oxidative dehydrogenation of propane

Highly ordered mesoporous NiMoO4 material was successfully synthesized using mesoporous silica KIT-6 as hard template via vacuum nanocasting method. The structure was characterized by means of XRD, TEM, N2 adsorption-desorption, Raman and FT-IR. The mesoporous NiMoO4 with the coexistence of a-NiMoO4 and fl-NiMoO4 showed well-ordered mesoporous structure, a bimodal pore size distribution and crystalline framework. The catalytic performance of NiMoOa was investigated for oxidative dehydrogenation of propane. It is demonstrated that the mesoporous NiMoO4 catalyst with more surface active oxygen species showed better catalytic performance in oxidative dehydrogena- tion of propane in comparison with bulk NiMoO4.

Synergistically boosting the elementary reactions over multiheterogeneous ordered macroporous Mo2C/NC-Ru for highly efficient alkaline hydrogen evolution

Simultaneously enhancing the reaction kinetics,mass transport,and gas release during alkaline hydrogen evolution reaction(HER)is critical to minimizing the reaction polarization resistance,but remains a big challenge.Through rational design of a hierarchical multiheterogeneous three-dimensionally(3D)ordered macroporous Mo_(2)C-embedded nitrogen-doped carbon with ultrafine Ru nanoclusters anchored on its surface(OMS Mo_(2)C/NC-Ru),we realize both electronic and morphologic engineering of the catalyst to maximize the electrocatalysis performance.The formed Ru-NC heterostructure shows regulative electronic states and optimized adsorption energy with the intermediate H*,and the Mo_(2)C-NC heterostructure accelerates the Volmer reaction due to the strong water dissociation ability as confirmed by theoretical calculations.Consequently,superior HER activity in alkaline solution with an extremely low overpotential of 15.5 mV at 10 mAcm^(−2)with the mass activity more than 17 times higher than that of the benchmark Pt/C,an ultrasmall Tafel slope of 22.7 mV dec−1,and excellent electrocatalytic durability were achieved,attributing to the enhanced mass transport and favorable gas release process endowed from the unique OMS Mo_(2)C/NC-Ru structure.By oxidizing OMS Mo_(2)C/NC-Ru into OMS MoO_(3)-RuO_(2)catalyst,it can also be applied as efficient oxygen evolution electrocatalyst,enabling the construction of a quasi-symmetric electrolyzer for overall water splitting.Such a device's performance surpassed the state-of-the-art Pt/C||RuO2 electrolyzer.This study provides instructive guidance for designing 3D-ordered macroporous multicomponent catalysts for efficient catalytic applications.

Evolution of precipitates in Mg−7Gd−3Y−1Nd−1Zn−0.5Zr alloy with fine plate-like 14H-LPSO structures aged at 240℃

The morphology and crystal structure of the precipitates in Mg-7Gd-3Y-1Nd-1Zn-0.5Zr(wt.%)alloy with fine plate-like 14H-LPSO structures aged at 240℃were investigated using transmission electron microscopy(TEM)and high-angle annular dark-field scanning transmission electron microscopy(HAADF-STEM).Fine plate-like 14H-LPSO structures precipitate after heat treatment at 500℃for 2 h,andβ-type phases precipitate after the alloy is aged at 240℃.The long-period atomic stacking sequence of 14H-LPSO structures along the[0001]αdirection is ABABCACACACBABA.After being aged at 240℃for 2 h,theβ-type phases are the ordered solution clusters,zig-zag GP zones,and a small number ofβ′phases.The peak hardness is obtained at 240℃for 18 h with a Brinell hardness of 112,theβ-type phases areβ’phases and local RE-rich structures.After being aged at 240℃for 100 h,theβ-type phases areβ’,β1 andβ’F phases.β′phases nucleate from the zig-zag GP zones directly withoutβ″phases,and then transform intoβ1 phase byβ’→β’F→β1 transformations.The Zn not only can form LPSO structure,but also is the constituent element ofβ1 phases.LPSO structures have a certain hindrance to the coarsening ofβ’andβ1 along<0001>α.

Formation of β' phase in LPSO structures in an Mg88Co5Y7 alloy

Formation of β’ phase in long-period stacking ordered(LPSO) structures in an Mg;Co;Y;(at.%) alloy after aging at 200 °C for 24 h or electron beam(EB) irradiation has been studied by high-angle annular dark-field scanning transmission electron microscopy(HAADFSTEM). β’ phase was precipitated only in the Mg matrix but not in LPSO structures after aging at 200 °C for 24 h. LPSO structure containing stacking defects transforms into the β’-long phase during EB irradiation, which plays a key role in accelerating solute atoms’ diffusion. New complex β’(LPSO) structures formed in the alloy after EB irradiation, such as β’(12 H) structure with an orthorhombic lattice(Mg;Y, Cmcm,a = 2 _(a0)= 0.642 nm, b=4√3_(a0), c = 6 _(c0)= 3.12 nm).