摘要：In order to develop a generic framework capable of designing novel amorphous alloys with selected target properties,a predictor−corrector inverse design scheme(PCIDS)consisting of a predictor module and a corrector module was presented.A high-precision forward prediction model based on deep neural networks was developed to implement these two *** utmost importance,domain knowledge-guided inverse design networks(DKIDNs)and regular inverse design networks(RIDNs)were also *** forward prediction model possesses a coefficient of determination(R^(2))of 0.990 for the shear modulus and 0.986 for the bulk modulus on the testing ***,the DKIDNs model exhibits superior performance compared to the RIDNs *** is finally demonstrated that PCIDS can efficiently predict amorphous alloy compositions with the required target properties.

摘要：Phase transformation of two-dimensional(2D)nanomaterials can lead to significant changes in electronic and optical properties,which enables the development of novel *** strategies for phase engineering of 2D nanomaterials have drawn considerable attention in recent *** review focuses on the state-of-the-art progress in the phase transformation of 2D nanomaterials and their catalytic ***,the basic concepts of phase transformation and the outstanding electronic and optical properties induced by phase transformation are briefly ***,different strategies for achieving phase transformation are discussed in detail and classified into several types based on their characteristics,including(i)doping,(ii)external fields,(iii)optical irradiation,(iv)strain effect,(v)high-energy particle excitation,and(vi)thermal *** applications of 2D nanomaterials in catalysis based on phase transformation have also been ***,a summary of the technical challenges to phase control in 2D nanomaterials and potential opportunities for developing novel applications is presented.

摘要：Fast electron-hole recombination issues during titanium dioxide(TiO_(2))photocatalysis limit its application in preventing bacterial infection during bone defect *** this study,TiO_(2)@reduced graphene oxide(rGO)composites were synthesized using a hydrothermal method in which rGO,which possesses very high electrical conductivity,promotes the separation of photoelectron-hole pairs of TiO_(2),thus improving the efficiency of photocatalytic production of reactive oxygen species(ROS).Subsequently,TiO_(2)@rGO composites were introduced into poly-L-lactic acid(PLLA)to prepare bone scaffolds with photocatalytic antibacterial function via selective laser *** results showed that TiO_(2)grew on the surface of rGO and formed a covalent bond connection(Ti-O-C)with rGO.A decreased electrochemical impedance of TiO_(2)@rGO composites was observed,and the transient photocurrent intensity increased from 0.05 to 0.5μA/cm^(2).Analysis of electron spin resonance found that the photocatalytic products of TiO_(2)were·OH and·O^(2-),two kinds of ROS capable of killing bacteria via disrupting the structure of the bacterial membrane in *** experiments showed that the PLLA/TiO_(2)@rGO scaffolds had good antibacterial properties against Escherichia coli and Staphylococcus ***,we report that these scaffolds exhibited both enhanced mechanical properties due to the addition of TiO_(2)@rGO as a reinforcement material and good biocompatibility during cell proliferation.

摘要：A simplified calculation of the specimen’s stress-strain curve is generally conducted using the two-wave method by the split Hopkinson pressure bar(SHPB),which aligns the onset of the transmitted and reflected ***,this approach neglects the travel time of elastic waves within the *** the travel time of elastic waves,this study quantitatively investigates the error characteristics and patterns of stress,strain,and strain rate in the specimen under different conditions using the theoretical two-wave method,and compares the results with those obtained using the onset-aligned twowave *** study reveals that the stress-time curves derived from the theoretical two-wave method are lower than the actual stress curves,whereas those obtained from the onset-aligned two-wave method are consistently higher than the actual stress curves,with the stress deviation approximating a constant value when the dimensionless time exceeds *** starting point of the stress-strain curves obtained by the theoretical two-wave method is not zero but a point on the strain axis,whereas the onset-aligned two-wave method always starts at ***,the slopes of the stress-strain curves obtained by both methods differ from the actual Young’s modulus of the material,and functional relationships between the slopes and the actual Young’s modulus are *** research offers theoretical guidance for the refined design of SHPB experiments and the accurate processing of data.

摘要：Solid oxide cells(SOCs)are emerging devices for efficient energy storage and ***,during SOC operation,gaseous chromium(Cr)species released from Fe-Cr alloy interconnect can lead to Cr deposition and poisoning of air electrodes,causing substantial degradation in electrochemical performance and compromising the longterm stability of *** mini-review examines the mechanism of Cr deposition and poisoning in air electrodes under both fuel-cell and electrolysis ***,emphasis is placed on the recent advancements in strategies to mitigate Cr poisoning,offering insights into the rational design and development of active and Cr-tolerant air electrodes for SOCs.

摘要：Treatment of peat soil foundation in Yunnan surrounding Dianchi and Erhai Lakes poses complex problems for engineering *** is insufficient to rely on ordinary cement to reinforce peat *** order to make the reinforcement reliable,this experiment mixed(ultrafine cement)UFC into ordinary cement to form a composite solidify *** study aimed to analyze the influence of UFC proportion on the strength of cement-soil in the peat soil *** compressive strength(UCS)and scanning electron microscope(SEM)tests were conducted on samples soaked for 28 and 90 days,*** test results show that without considering the effects of Humic Acid(HA)and Fulvic Acid(FA),incorporating UFC can significantly improve the UCS of *** rapid hydration of the fine particles generates a large number of cementitious products,improves the cohesion of the soil skeleton,and fills the ***,when the proportion of UFC increases,the aggregate structure formed by a larger quantity of fine particles reduces the hydration rate and degree of cement hydration,making the UCS growth rate of cement-soil *** the peat soil environment,HA significantly weakened the UCS of cement-soil in both physical and chemical ***,UFC can mitigate the adverse effect of HA on cement-soil by its small particle size,high surface energy,and solid binding *** addition,FA has a positive effect on the UCS of cement-soil soaked for 28 days and 90 *** UFC addition could promote the enhancement effect of FA on cement-soil *** test results showed that cement hydration products increased significantly with the increase of UFC proportion,and cementation between hydration products and soil particles was *** size and connectivity of cement-soil pores were significantly reduced,thereby improving cement-soil structural integrity.

摘要：Conjugated polymers exhibit exceptional adaptability in flexible thin-film transistors,owing to their inherent flexibility and high charge ***,achieving conjugated polymers that demonstrate both high mobility and stability under mechanical stress,such as bending or stretching,remains a significant *** this study,we synthesized an ethylene-bridged conjugated polymer,PDPPVIDT,derived from methyl-side diketopyrrolopyrrole(DPP)and indacenodithiophene(IDT)aldehydes,using an environmentally friendly Knoevenagel condensation reaction under mild conditions,resulting in a moderate yield with promising *** characterization techniques revealed enhanced backbone planarity with stableπ-πstacking,while thin films of PDPPVIDT displayed a nearamorphous nature due to the conformational isomerism of the ethylene *** structure enables simultaneous charge transport and ***,flexible organic thinfilm transistor(OTFT)devices based on PDPPVIDT demonstrated excellent hole mobility(μh)reaching up to 1.70 cm^(2) V^(−1) s^(−1),along with high mechanical bending *** work underscores the potential of vinyl-bridged donor-acceptor conjugated polymers,highlighting the industrial adaptability of their production process and offering new insights for the design and synthesis of future flexible electronic materials.

摘要：Homogeneous redox mediation is efficient in alleviating the shuttling effect and slow redox kinetics of lithium polysulfides in lithium-sulfur ***,their perfect performance is not fulfilled owning to the fact that the multi-step transformation of lithium polysulfides requests the multifunctional active positions for the tandem *** on the redox comediation principles,a promoter of mixing organodiselenide and organoditelluride(mixed-Se/Te)was raised to induce tandem catalysis and boost the effective electrochemical conversion of lithium *** specifically,diphenyl diselenide facilitated the liquid-liquid and solid-liquid transformation between lithium polysulfides and sulfur,while diphenyl ditelluride improved the solid-liquid transformation concerning lithium sulfide ***,even under high sulfur loading of 6.5 mg cm^(−2) and low electrolyte/sulfur ratio of 5.88μL mg^(−1),the 10 mM low concentration mixed-Se/Te promoter offered a high discharge capacity of 6.6 mAh cm^(−2) and high rate performance of 4.1 mAh cm^(−2) at 0.5 ***,the assembled 1.5 Ah-level lithium-sulfur pouch cells provide an energy density of 332 Wh kg^(−1) at 0.05 C and good cycling *** research demonstrates the applicability of propelling continuous sulfur conversion reactions with detached active positions and is anticipated to stimulate deep molecular design of kinetic promoter to targeted energy-associated redox reactions.

摘要：Electronic circular dichroism(ECD)spectrum is an important tool for as-sessing molecular ***-al methods,like linear response time-dependent density functional theory(LR-TDDFT),predict ECD spectra well for small or medium-sized molecules,but struggle with large sys-tems due to high computational costs,making it a significant challenge to ac-curately and efficiently predict the ECD properties of complex *** the framework of the generalized energy-based fragmentation(GEBF)method for localized excited states(ESs)calculation,we propose a combination algorithm for calculating rotatory strengths of ESs in condensed phase *** algorithm estimates the rotatory strength of the total system by calculating and combin-ing the transition electric and magnetic dipole moments of *** have used the GEBF method to calculate the ECD properties of chiral drug molecule derivatives,green fluo-rescent protein,and cyclodextrin derivatives,and compared their results with traditional methods or experimental *** results show that this method can efficiently and accu-rately predict the ECD spectra of these ***,the GEBF method for ECD spectra demonstrates great potential in the chiral analysis of complex systems and chiral material design,promising to become a powerful theoretical tool in chiral chemistry.

摘要：We report a novel benzoxazole derivative,1,4-bis(benzo[d]oxazol-2-yl)naphthalene(BBON),exhibiting exceptional multifunctional properties for advanced optoelectronic *** crystals demonstrate remarkable multidirectional bending and twisting at room temperature and retain elasticity under extreme conditions,such as exposure to liquid nitrogen,showcasing their *** crystals can be crafted into complex mesh and lantern shapes,highlighting their versatility for flexible and wearable *** high pressure,BBON exhibits significant piezochromic shifts,with the emission wavelength shifting from 477 to 545 nm upon pressure *** crystals,with a high quantum yield of 72.26%,exhibit excellent optical waveguide performance:0.38 dB/cm when straight and 0.56 dB/cm when *** properties make them ideal for smart sensors and flexible electronic ***-crystal analyses reveal that molecular stacking and intermolecular interactions are crucial to their elastic and piezochromic properties,providing insights for the design of future responsive materials.