Energetic materials face critical challenges in balancing energy density and safety,driving the development of low-sensitivity high-energy materials.Though vital for modern defense and civilian applications,low-sensit...Energetic materials face critical challenges in balancing energy density and safety,driving the development of low-sensitivity high-energy materials.Though vital for modern defense and civilian applications,low-sensitivity high-energy materials remain scarce,with 1,3,5-trinitro-2,4,6-triaminobenzene as the only deployed example.Planar lamellar energetic crystals,which utilize weak interlamellarπ-πstacking for mechanical energy dissipation,have shown significant promise.However,their rational design is constrained by insufficient understanding of intermolecular interaction synergy.This review synthesizes the structural features of planar lamellar energetic crystals,emphasizing three core elements:the single-atomic-thickness planar stacking architecture,the"strong intralamellar and weak interlamellar interaction"paradigm(key to balancing energy density and safety for low-sensitivity high-energy materials,LSHEMs),and the role of molecular planarity in reducing shear slip barriers.It categorizes design strategies into two frameworks:H–bonding dominated(single-component:cross-shaped assembly,strong H–bonding in high symmetric molecules;multi-component methods:tenon-and-mortise,acceptor-donor separation)and other intermolecular interactions(e.g.,π-πstacking-drivenπ-π2max model,π-hole recognition).Case studies in single/multi-component crystals confirm that these strategies tune interaction synergy to achieve target packing motifs.The review highlights that interaction engineering is pivotal for PLEC design,offering a targeted theoretical framework for rational development of LSHEMs(to address the scarcity of practical LSHEMs)and guiding future crystal engineering for energy-safety balanced systems.展开更多
High-performance lead-free piezoelectric single crystals are urgently needed for next-generation actuators and transducers.In this study,we reveal that a compositionally driven tetragonal-pseudocubic(T-PC)phase bounda...High-performance lead-free piezoelectric single crystals are urgently needed for next-generation actuators and transducers.In this study,we reveal that a compositionally driven tetragonal-pseudocubic(T-PC)phase boundary,in conjunction with an octahedral order-disorder tilting transition,significantly enhances the piezoelectric response in Nb^(5+)-substitution(Bi_(0.48)Na_(0.425)K_(0.055)Ba_(0.04))(Ti_(0.98)Nb_(0.02))O_(3)(BNKBT-2Nb)single crystals.The crystal achieves an outstanding piezoelectric coefficient of d33=662 pC/N at room temperature.In situ X-ray diffraction confirms an electric field-induced transition from the PC to T phase.Atomic-resolution HADDF-STEM analysis reveals an increase in the c/a ratio(c/a>1.01)on the local scale and ordered octahe-dral tilting of the a^(0)a^(0)c+type driven by the poling field.The single crystals exhibit excellent piezoelectric per-formance over a broad temperature range,achieving a peak d_(33) of 920 pC/N at approximately 92℃.Furthermore,the polar states exhibit a pronounced frequency dependence near the depolarization temperature.These findings provide critical insight into the structure-property relationship and offer a promising pathway for designing advanced lead-free piezoelectric crystals for functional electromechanical applications.展开更多
Color filters are essential components for optical modulation.However,conventional filters are restricted to operating exclusively in either reflective or transmissive mode.Furthermore,they suffer from limited UV and ...Color filters are essential components for optical modulation.However,conventional filters are restricted to operating exclusively in either reflective or transmissive mode.Furthermore,they suffer from limited UV and thermal stability,low color purity,and exhibit identical coloration on both surfaces.Herein,we propose a novel design strategy for trans-reflective color filters by integrating the absorptive properties of dye-doped polysulfone(PSU)with the diffractive capabilities of photonic crystals.This composite filter achieved broad-spectrum transmission with deep color outputs—yellow(0.410,0.510),magenta(0.446,0.231),and cyan(0.201,0.425)—closely aligned with standard color space coordinates.By tuning the refractive index of CeO_(2)@SiO_(2)nanoparticles to match dye-based PSU matrix,the transmittance of filters exceeded 70%.Moreover,dye-mediated absorption reduces the scattering light,thereby enhancing reflection color purity(full width at half maxima(FWHM)=25 nm)and producing vibrant blue,green,and red hues.The incorporation of UV-absorbing CeO_(2)@SiO_(2)nanoparticles effectively mitigated dye photodegradation,yielding exceptional UV stability(ΔT<2%under prolonged UV exposure).The filters also exhibited outstanding thermal stability(ΔT<1%after 30 min heat treatment at 230°C).This work establishes a robust materials design framework for multifunctional optical filters,advancing the development of highfidelity dual-mode color systems for next-generation display technologies.展开更多
The effects of the high pressure die casting(HPDC)processes on porosity,microstructure,and mechanical properties of heat-treatment-free aluminum silicon(Al-Si)alloys have long been a focal point in automotive die-cast...The effects of the high pressure die casting(HPDC)processes on porosity,microstructure,and mechanical properties of heat-treatment-free aluminum silicon(Al-Si)alloys have long been a focal point in automotive die-casting research.In this work,the combined effect of shot sleeve materials and slow shot speeds on porosity,microstructure and mechanical properties of a newly designed HPDC Al-Si alloy was investigated.Results show that employing a ceramic shot sleeve or increasing the slow shot speed significantly reduces both the average size and area fraction of externally solidified crystals(ESCs),as well as the average pore size and volume fraction.When the slow shot speed is increased from 0.05 m·s^(-1)to 0.1 m·s^(-1),the pore volume fraction decreases by 10.2%in steel-shot-sleeve samples,compared to a substantial 67.1%reduction in ceramic-shot-sleeve samples.At a slow shot speed of 0.1 m·s^(-1),castings produced with a ceramic shot sleeve exhibit superior mechanical properties:8.3%higher yield strength,17.4%greater tensile strength,and an 81.4%improvement in elongation,relative to those from a steel shot sleeve.These findings provide valuable insights for minimizing porosity and coarse ESCs in die castings,offering promising potential for broader industrial applications.展开更多
Improving the optoelectronic behavior and stress-deformation stability of conjugated materials is crucial for the realization of their potential applications in flexible optoelectronics.To tune the emission behavior a...Improving the optoelectronic behavior and stress-deformation stability of conjugated materials is crucial for the realization of their potential applications in flexible optoelectronics.To tune the emission behavior and mechanical property of molecular crystals simultaneously via supramolecular salt strategy is rarely reported,which is very important to improve their photophysical behavior and softness for the fabrication of flexible light-emitting device.Herein,supramolecular salt approach has been successfully applied to synthesize two elastic organic fluorescent crystals(CMOH-Py-Cl and CMOH-Py-Br)derived from non-emissive and brittle pyridine-substituted coumarin derivative(CMOH-Py).Their elastic properties can be attributed to the prevalent presence of numerous weak interactions introduced by halogen atoms,which are beneficial to the absorption and release of mechanical energy.Furthermore,density functional theory(DFT)calculations demonstrated a narrowing of the HOMO-LUMO energy gaps from CMOH-Py to CMOH-Py-Cl/CMOH-Py-Br via supramolecular salt approach.Finally,the application of flexible crystal materials in the field of optical waveguides has been investigated.The transformation of crystals in terms of photophysical and mechanical properties,achieved by the supramolecular salt approach,offers novel insights into the design and construction of flexible crystalline materials,providing a new path for the development of next-generation smart materials.展开更多
The growing demand for personalized health care,smart wearables,and advanced environmental monitoring has spurred the development of multifunctional materials that combine flexibility,environmental adaptability,and di...The growing demand for personalized health care,smart wearables,and advanced environmental monitoring has spurred the development of multifunctional materials that combine flexibility,environmental adaptability,and diverse functionalities.However,conventional materials often failed to integrate these attributes simultaneously,hindering their applicability in next-generation technologies.Here,we present an organic-inorganic hybrid crystalline material with a unique sandwich-like architecture,in which a flexible organic crystal core is encased by reduced graphene oxide(rGO)and thermoplastic polyurethane(TPU).This strategic integration endows the material with fluorescence,cryogenic flexibility,and electrical conductivity,while also enabling dual sensing and actuation capabilities.The rGO layer facilitates real-time humidity(25-90%RH)and temperature(25-180℃)sensing through environmental interactions,whereas the differential thermal expansion between TPU and the flexible crystal core drives efficient photothermal actuation at-150℃ for advanced thermal regulation.The hybrid material exhibits stable performance under extreme conditions,making it a promising candidate for biomedical monitoring,flexible electronics,and energy applications.This work establishes hybrid crystalline materials as versatile and scalable platforms for addressing complex technological demands,paving the way for their application in next-generation multifunctional devices.展开更多
Temperature-dependent resistivity,upper critical field H_(c2)and its anisotropy in overdoped superconducting Ba_(1-x)K_x Fe_2As_2(x=0.6-1)single crystals have been measured in steady magnetic fields up to 44 T and low...Temperature-dependent resistivity,upper critical field H_(c2)and its anisotropy in overdoped superconducting Ba_(1-x)K_x Fe_2As_2(x=0.6-1)single crystals have been measured in steady magnetic fields up to 44 T and low temperatures down to 0.4 K.Analysis using both the quadratic term and power-law fitting demonstrates that the in-plane resistivityρ_(ab)(T)progressively approaches the Fermi-liquid T~2behavior with increasing K doping and reaches a saturation plateau at x≈0.8.The temperature dependence of both H_(c2)^(ab)and H^(c)_(c2)follows the Werthamer-Helfand-Hohenberg model,incorporating orbital and spin paramagnetic effects.For x≤0.8,the orbital effect dominates for H ab,while the Pauli paramagnetic effect prevails for H c.For x>0.8,the Pauli paramagnetic effect becomes dominant in both crystallographic directions.The anisotropy of H_(c2)(0)exhibits a discontinuity in its dependence on K doping concentration with a significant enhancement at x=0.8 and a maximum at x=0.9.These experimental results indicate that the electron correlation effect is enhanced in the heavily overdoped Ba_(1-x)K_(x)Fe_(2)As_(2)system where the underlying symmetries are broken due to the Fermi surface reconstruction before x=0.9.展开更多
In this work,five kinds of crystals were successfully synthesized using the Czochralski method for the first time,namely Dy∶Ca_(3)Li_(0.275)Nb_(1.775)Ga_(2.95)O_(12)(CLNGG),Dy,Tb∶CLNGG,Dy,Eu∶CLNGG,Tb∶CLNGG,and Eu...In this work,five kinds of crystals were successfully synthesized using the Czochralski method for the first time,namely Dy∶Ca_(3)Li_(0.275)Nb_(1.775)Ga_(2.95)O_(12)(CLNGG),Dy,Tb∶CLNGG,Dy,Eu∶CLNGG,Tb∶CLNGG,and Eu∶CLNGG.A detailed investigation of spectral features and energy transfer mechanisms in such crystals was conducted by analyzing their optical absorption spectra,excitation and emission spectra,and fluorescence decay curves at ambient tem-perature.Calculations based on the Judd-Ofelt theory further elucidated these features.The results demonstrate that in the Dy^(3+)system,co-doping with Tb^(3+)and Eu^(3+)ions not only enhances the emission cross-sections in the yellow wavelength re-gion but also improves the fluorescence quantum efficiency.These improvements are particularly beneficial for achieving efficient yellow light output from Dy^(3+).Additionally,the studies confirm the occurrence of reciprocal energy transfer be-tween Dy^(3+)and Tb^(3+)ions in Dy,Tb∶CLNGG crystals,whereas unidirectional energy transfer from Dy^(3+)to Eu^(3+)occurs in Dy,Eu∶CLNGG crystals.Based on the obtained research results,Dy,Tb∶CLNGG and Dy,Eu∶CLNGG crystals could be utilized as compelling and potential laser media for diode-pumped all-solid-state yellow lasers.展开更多
Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled t...Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.展开更多
This paper examines the connection between photonic band-gap formation in two types of two-dimensional photonic crystals and the emergence of reverse electromagnetic energy flows generated by linearly polarized plane ...This paper examines the connection between photonic band-gap formation in two types of two-dimensional photonic crystals and the emergence of reverse electromagnetic energy flows generated by linearly polarized plane waves incident on a photonic-crystal slab.We show that these reverse energy flows,observed in both transmitted and reflected fields,originate from vortex structures in the Poynting vector.The resulting energy-flow patterns exhibit striking analogies to vortex formation in fluid motion past obstacles.The geometry and dynamics of the Poynting-vector vortices determine whether the incident electromagnetic energy is impeded,leading to the formation of photonic band gaps,or instead guided through the structure,enabling transmission.展开更多
Accurately predicting the synthesizability of inorganic crystal materials serves as a pivotal tool for the efficient screening of viable candidates,substantially reducing the costs associated with extensive experiment...Accurately predicting the synthesizability of inorganic crystal materials serves as a pivotal tool for the efficient screening of viable candidates,substantially reducing the costs associated with extensive experimental trial-and-error processes.However,existing methods,limited by static structural descriptors such as chemical composition and lattice parameters,fail to account for atomic vibrations,which may introduce spurious correlations and undermine predictive reliability.Here,we propose a deep learning model termed integrating graph and dynamical stability(IGDS)for predicting the synthesizability of inorganic crystals.IGDS employs graph representation learning to construct crystal graphs that precisely capture the static structures of crystals and integrates phonon spectral features extracted from pre-trained machine learning interatomic potentials to represent their dynamic properties.Our model exhibits outstanding performance in predicting the synthesizability of low-energy unsynthesizable crystals across 41 material systems,achieving precision and recall values of 0.916/0.863 for ternary compounds.By capturing both static structural descriptors and dynamic features,IGDS provides a physics-informed method for predicting the synthesizability of inorganic crystals.This approach bridges the gap between theoretical design concepts and their practical implementation,thereby streamlining the development cycle of new materials and enhancing overall research efficiency.展开更多
Simultaneous integration of rich oxygen vacancies(OVs)and twin crystals in a photocatalyst can not only significantly enhance the near-infrared(NIR)light response but also greatly improve the photocharge separation an...Simultaneous integration of rich oxygen vacancies(OVs)and twin crystals in a photocatalyst can not only significantly enhance the near-infrared(NIR)light response but also greatly improve the photocharge separation and transfer efficiency owing to the induced high electrical conductivity and strong built-in electric field.However,thus far,there has been a lack of a model catalyst containing both twin crystals and OVs.Herein,we develop a simple wet chemical strategy for synthesizing of unprecedented NIR light-responsive OVs-rich Cu_(2)O black nanoparticles with high-density of twin crystals(denoted as black twinned Cu_(2)O).As expected,the black twinned Cu_(2)O exhibits higher visible-NIR and NIR light-driven photodegradation of tetracycline(TC)solution than the counterparts.Significantly,the mechanism insight into twin-dependent photocatalysis in NIR light-responsive Cu_(2)O black nanocrystals with rich OVs is uncovered in depth by density functional theory(DFT)calculations and a series of experimental evidence.Expectantly,this work would be beneficial for the scientific researchers currently focusing on the NIR light-responsive photocatalysis and twin engineering of photocatalysts.展开更多
Traditional desorption methods in porous sorbents rely heavily on energy-intensive processes such as heating,vacuum pumping,or inert gas purging[1].While effective,these approaches incur substantial energy and operati...Traditional desorption methods in porous sorbents rely heavily on energy-intensive processes such as heating,vacuum pumping,or inert gas purging[1].While effective,these approaches incur substantial energy and operational costs,particularly for hydrocarbons with high boiling points or strong host-vip interactions[2].This is the same case in the newly-developed macrocyclebased crystalline adsorbents,namely nonporous adaptive crystals(NACs).To address these challenges,a recent study published in Angewandte Chemie International Edition by Jie,Ma,and co-workers reported an innovative molecular-"squeeze"triggered desorption mechanism in NACs[3-5].Specifically,ethyl acetate(EA)triggers vip desorption without penetrating the crystal pores or voids.Instead,EA molecules interact with the crystal surface through supramolecular forces,causing the adaptive closure of voids and the subsequent release of vip molecules.Unlike conventional sponges that rely on mechanical squeeze to deform themselves in the bulk for vip release,these macrocycle crystals undergo structural deformation at the molecular level and condensed phase when exposed to vaporized molecules.Because of the similar behavior between sponges and such NACs,the authors name them as sponge-likemacrocyclecrystals.展开更多
Functional crystals are the basic materials for the development of modern science and technology and are playing key roles in the modern information era. In this paper, we review functional crystals in China, includin...Functional crystals are the basic materials for the development of modern science and technology and are playing key roles in the modern information era. In this paper, we review functional crystals in China, including research history, significant achievements, and important applications by highlighting the most recent progress in research. Challenges for the development of functional materials are discussed and possible directions for development are proposed by focusing on potential strengths of these materials.展开更多
High pressure die casting(HPDC)AlSi10Mn Mg alloy castings are widely used in the automobile industry.Mg can optimize the mechanical properties of castings through heat treatment,while the release of thermal stress aro...High pressure die casting(HPDC)AlSi10Mn Mg alloy castings are widely used in the automobile industry.Mg can optimize the mechanical properties of castings through heat treatment,while the release of thermal stress arouses the deformation of large integrated die-castings.Herein,the development of non-heat treatment Al alloys is becoming the hot topic.In addition,HPDC contains externally solidified crystals(ESCs),which are detrimental to the mechanical properties of castings.To achieve high strength and toughness of non-heat treatment die-casting Al-Si alloy,we used AlSi9Mn alloy as matrix with the introduction of Zr,Ti,Nb,and Ce.Their influences on ESCs and mechanical properties were systematically investigated through three-dimensional reconstruction and thermodynamic simulation.Our results reveal that the addition of Ti increased ESCs'size and porosity,while the introduction of Nb refined ESCs and decreased porosity.Meanwhile,large-sized Al_3(Zr,Ti)phases formed and degraded the mechanical properties.Subsequent introduction of Ce resulted in the poisoning effect and reduced mechanical properties.展开更多
This study reports the synthesis of oleic acid sterol ester with liquid crystalline properties and its enhanced stability and UV-blocking performance through microencapsulation.Oleic acid sterol ester was synthesized ...This study reports the synthesis of oleic acid sterol ester with liquid crystalline properties and its enhanced stability and UV-blocking performance through microencapsulation.Oleic acid sterol ester was synthesized via the esterification of phytosterol and oleic acid,whose structure was characterized using Fourier-transform infrared spectroscopy(FTIR)and mass spectrometry(MS).Its liquid crystalline behavior was confirmed via the polarized optical microscopy(POM),thermogravimetric analysis(TGA),differential scanning calorimetry(DSC),wide-angle X-ray scattering(WAXS),and small-angle X-ray scattering(SAXS).UV absorption tests were conducted to assess the UV-blocking performance of the oleic acid sterol ester liquid crystals.To improve the stability of its liquid crystalline structure,the oleic acid sterol ester was encapsulated into microcapsules through the emulsion polymerization.SPF measurements were performed on the sunscreen formulations containing liquid crystal microcapsules.The oleic acid sterol ester displayed cholesteric liquid crystalline behavior and strong UVA absorption,which indicates its suitability as a natural UV absorber.Microencapsulation further enhanced its stability and UV-blocking properties.SPF testing showed that the formulations with microcapsules achieved an SPF value of 7.01,which surpasses the nano titanium dioxide(SPF=6.23)and significantly outperform the unencapsulated liquid crystal formulations(SPF=2.65).This study highlights the potential of microencapsulated oleic acid sterol ester as a novel UV absorber in the sunscreen formulations,offers the enhanced stability and effective UV protection,and showcases its application potential in the innovative cosmetic products.展开更多
In order to improVe the pyroelectric properties of TGS crystals,the different dopants were selected according to crystal chemistry principle and pyroelectric effect of molecules and ionic group to grow new modified TG...In order to improVe the pyroelectric properties of TGS crystals,the different dopants were selected according to crystal chemistry principle and pyroelectric effect of molecules and ionic group to grow new modified TGS crystals. The experimental results show that some dopants can improve the pyroelectric proPerties of TGS crystals.展开更多
Tamm plasmon polaritons(TPPs)are localized photonic states at the interface between a metal layer and one-dimensional(1D)photonic crystal substrate.Unlike surface plasmon polaritons(SPPs),TPPs can be excited by both t...Tamm plasmon polaritons(TPPs)are localized photonic states at the interface between a metal layer and one-dimensional(1D)photonic crystal substrate.Unlike surface plasmon polaritons(SPPs),TPPs can be excited by both transverse magnetic and electric waves without requiring additional coupling optics.TPPs offer robust color filtering,making them ideal for applications such as complementary metal oxide semiconductor(CMOS)image detectors.However,obtaining a large-area,reversible,and reconfigurable filter remains challenging.This study demonstrates a dynamically reconfigurable reflective color filter by integrating an ultrathin antimony trisulfide(Sb_(2)S_(3))layer with Tamm plasmonic photonic crystals.Reconfigurable tuning was achieved by inducing Sb_(2)S_(3) crystallization and reamorphization via thermal and optical activation,respectively.The material exhibited good stability after multiple switching cycles.The reflectance spectrum can be tuned across the visible range,with a shift of approximately 50 nm by switching Sb_(2)S_(3) between its amorphous and crystalline phases.This phase transition is nonvolatile and substantially minimizes the energy consumption,enhancing efficiency for practical applications.Tamm plasmonic photonic crystals are low-cost and large-scale production,offering a platform for compact color display systems and customizable photonic crystal filters for realistic system integration.展开更多
The unique structure and exceptional properties of two-dimensional(2D)materials offer significant potential for transformative advancements in semiconductor industry.Similar to the reliance on wafer-scale single-cryst...The unique structure and exceptional properties of two-dimensional(2D)materials offer significant potential for transformative advancements in semiconductor industry.Similar to the reliance on wafer-scale single-crystal ingots for silicon-based chips,practical applications of 2D materials at the chip level need large-scale,high-quality production of 2D single crystals.Over the past two decades,the size of 2D single-crystals has been improved to wafer or meter scale,where the nucleation control during the growth process is particularly important.Therefore,it is essential to conduct a comprehensive review of nucleation control to gain fundamental insights into the growth of 2D single-crystal materials.This review mainly focuses on two aspects:controlling nucleation density to enable the growth from a single nucleus,and controlling nucleation position to achieve the unidirectionally aligned islands and subsequent seamless stitching.Finally,we provide an overview and forecast of the strategic pathways for emerging 2D materials.展开更多
We study the topological states(TSs)of all-dielectric honeycomb valley photonic crystals(VPCs).Breaking the space inversion symmetry of the honeycomb lattice by varying the filling ratio of materials for circular ring...We study the topological states(TSs)of all-dielectric honeycomb valley photonic crystals(VPCs).Breaking the space inversion symmetry of the honeycomb lattice by varying the filling ratio of materials for circular ring dielectric columns in the unit cell,which triggers topological phase transitions and thus achieves topological edge states(TESs)and topological corner states(TCSs).The results demonstrate that this structure has efficient photon transmission characteristics and anti-scattering robustness.In particular,we have found that changing the type of edge splicing between VPCs with different topological properties produces a change in the frequency of TCSs,and then based on this phenomenon,we have used a new method of adjusting only the type of edge splicing of the structure to design a novel TCSs combiner that can integrate four TCSs with different frequencies.This work not only expands the variety and number of unexplored TCSs that may exist in a fixed photonic band gap and can be rationalized to be selectively excited in the fixed configuration.Our study provides a feasible pathway for the design of integrated optical devices in which multiple TSs coexist in a single photonic system.展开更多
基金supported by the National Natural Science Foundation of China under Grant No.22505100.
文摘Energetic materials face critical challenges in balancing energy density and safety,driving the development of low-sensitivity high-energy materials.Though vital for modern defense and civilian applications,low-sensitivity high-energy materials remain scarce,with 1,3,5-trinitro-2,4,6-triaminobenzene as the only deployed example.Planar lamellar energetic crystals,which utilize weak interlamellarπ-πstacking for mechanical energy dissipation,have shown significant promise.However,their rational design is constrained by insufficient understanding of intermolecular interaction synergy.This review synthesizes the structural features of planar lamellar energetic crystals,emphasizing three core elements:the single-atomic-thickness planar stacking architecture,the"strong intralamellar and weak interlamellar interaction"paradigm(key to balancing energy density and safety for low-sensitivity high-energy materials,LSHEMs),and the role of molecular planarity in reducing shear slip barriers.It categorizes design strategies into two frameworks:H–bonding dominated(single-component:cross-shaped assembly,strong H–bonding in high symmetric molecules;multi-component methods:tenon-and-mortise,acceptor-donor separation)and other intermolecular interactions(e.g.,π-πstacking-drivenπ-π2max model,π-hole recognition).Case studies in single/multi-component crystals confirm that these strategies tune interaction synergy to achieve target packing motifs.The review highlights that interaction engineering is pivotal for PLEC design,offering a targeted theoretical framework for rational development of LSHEMs(to address the scarcity of practical LSHEMs)and guiding future crystal engineering for energy-safety balanced systems.
基金supported by the National Natural Science Foundation of China(Grant No.11704301)the Natural Science Basic Research Plan in Shaanxi Province of China(Program No.2022JM212)supported by the Ministry of Science and Higher Education of the Russian Federation(FSEG-2023-0016).
文摘High-performance lead-free piezoelectric single crystals are urgently needed for next-generation actuators and transducers.In this study,we reveal that a compositionally driven tetragonal-pseudocubic(T-PC)phase boundary,in conjunction with an octahedral order-disorder tilting transition,significantly enhances the piezoelectric response in Nb^(5+)-substitution(Bi_(0.48)Na_(0.425)K_(0.055)Ba_(0.04))(Ti_(0.98)Nb_(0.02))O_(3)(BNKBT-2Nb)single crystals.The crystal achieves an outstanding piezoelectric coefficient of d33=662 pC/N at room temperature.In situ X-ray diffraction confirms an electric field-induced transition from the PC to T phase.Atomic-resolution HADDF-STEM analysis reveals an increase in the c/a ratio(c/a>1.01)on the local scale and ordered octahe-dral tilting of the a^(0)a^(0)c+type driven by the poling field.The single crystals exhibit excellent piezoelectric per-formance over a broad temperature range,achieving a peak d_(33) of 920 pC/N at approximately 92℃.Furthermore,the polar states exhibit a pronounced frequency dependence near the depolarization temperature.These findings provide critical insight into the structure-property relationship and offer a promising pathway for designing advanced lead-free piezoelectric crystals for functional electromechanical applications.
基金supported by the Program of the National Natural Science Foundation of China(22238002)the Fundamental Research Funds for the Central Universities(DUT22-LAB610)Research and Innovation Team Project of Dalian University of Technology(DUT2022TB10).
文摘Color filters are essential components for optical modulation.However,conventional filters are restricted to operating exclusively in either reflective or transmissive mode.Furthermore,they suffer from limited UV and thermal stability,low color purity,and exhibit identical coloration on both surfaces.Herein,we propose a novel design strategy for trans-reflective color filters by integrating the absorptive properties of dye-doped polysulfone(PSU)with the diffractive capabilities of photonic crystals.This composite filter achieved broad-spectrum transmission with deep color outputs—yellow(0.410,0.510),magenta(0.446,0.231),and cyan(0.201,0.425)—closely aligned with standard color space coordinates.By tuning the refractive index of CeO_(2)@SiO_(2)nanoparticles to match dye-based PSU matrix,the transmittance of filters exceeded 70%.Moreover,dye-mediated absorption reduces the scattering light,thereby enhancing reflection color purity(full width at half maxima(FWHM)=25 nm)and producing vibrant blue,green,and red hues.The incorporation of UV-absorbing CeO_(2)@SiO_(2)nanoparticles effectively mitigated dye photodegradation,yielding exceptional UV stability(ΔT<2%under prolonged UV exposure).The filters also exhibited outstanding thermal stability(ΔT<1%after 30 min heat treatment at 230°C).This work establishes a robust materials design framework for multifunctional optical filters,advancing the development of highfidelity dual-mode color systems for next-generation display technologies.
基金the National Key Research and Development Program of China(Grant No.2022YFB3404201)the National Natural Science Foundation of China(Grant Nos.52175335,52405342)+1 种基金the Natural Science Foundation Joint Foundation of Liaoning province(Grant No.2023-B SB A-108)the Fundamental Research Funds for the Central Universities(Grant No.N2402005)。
文摘The effects of the high pressure die casting(HPDC)processes on porosity,microstructure,and mechanical properties of heat-treatment-free aluminum silicon(Al-Si)alloys have long been a focal point in automotive die-casting research.In this work,the combined effect of shot sleeve materials and slow shot speeds on porosity,microstructure and mechanical properties of a newly designed HPDC Al-Si alloy was investigated.Results show that employing a ceramic shot sleeve or increasing the slow shot speed significantly reduces both the average size and area fraction of externally solidified crystals(ESCs),as well as the average pore size and volume fraction.When the slow shot speed is increased from 0.05 m·s^(-1)to 0.1 m·s^(-1),the pore volume fraction decreases by 10.2%in steel-shot-sleeve samples,compared to a substantial 67.1%reduction in ceramic-shot-sleeve samples.At a slow shot speed of 0.1 m·s^(-1),castings produced with a ceramic shot sleeve exhibit superior mechanical properties:8.3%higher yield strength,17.4%greater tensile strength,and an 81.4%improvement in elongation,relative to those from a steel shot sleeve.These findings provide valuable insights for minimizing porosity and coarse ESCs in die castings,offering promising potential for broader industrial applications.
基金supported by the National Natural Science Foundation of China(Nos.22205105,61874053,22075136)National Key Basic Research Program of China(No.2020YFA0709900)Jiangsu Provincial Postgraduate Scientific Research Innovation Program(No.KYCX24_1649).
文摘Improving the optoelectronic behavior and stress-deformation stability of conjugated materials is crucial for the realization of their potential applications in flexible optoelectronics.To tune the emission behavior and mechanical property of molecular crystals simultaneously via supramolecular salt strategy is rarely reported,which is very important to improve their photophysical behavior and softness for the fabrication of flexible light-emitting device.Herein,supramolecular salt approach has been successfully applied to synthesize two elastic organic fluorescent crystals(CMOH-Py-Cl and CMOH-Py-Br)derived from non-emissive and brittle pyridine-substituted coumarin derivative(CMOH-Py).Their elastic properties can be attributed to the prevalent presence of numerous weak interactions introduced by halogen atoms,which are beneficial to the absorption and release of mechanical energy.Furthermore,density functional theory(DFT)calculations demonstrated a narrowing of the HOMO-LUMO energy gaps from CMOH-Py to CMOH-Py-Cl/CMOH-Py-Br via supramolecular salt approach.Finally,the application of flexible crystal materials in the field of optical waveguides has been investigated.The transformation of crystals in terms of photophysical and mechanical properties,achieved by the supramolecular salt approach,offers novel insights into the design and construction of flexible crystalline materials,providing a new path for the development of next-generation smart materials.
基金support from the National Natural Science Foundation of China(52373181 and 52173164)the Natural Science Foundation of Jilin Province(20250102120JC and 20230101038JC)+1 种基金the Postdoctoral Fellowship Program of China Postdoctoral Science Foundation(GZB20240259)the Project funded by China Postdoctoral Science Foundation(2024M761121 and 2025T180139).
文摘The growing demand for personalized health care,smart wearables,and advanced environmental monitoring has spurred the development of multifunctional materials that combine flexibility,environmental adaptability,and diverse functionalities.However,conventional materials often failed to integrate these attributes simultaneously,hindering their applicability in next-generation technologies.Here,we present an organic-inorganic hybrid crystalline material with a unique sandwich-like architecture,in which a flexible organic crystal core is encased by reduced graphene oxide(rGO)and thermoplastic polyurethane(TPU).This strategic integration endows the material with fluorescence,cryogenic flexibility,and electrical conductivity,while also enabling dual sensing and actuation capabilities.The rGO layer facilitates real-time humidity(25-90%RH)and temperature(25-180℃)sensing through environmental interactions,whereas the differential thermal expansion between TPU and the flexible crystal core drives efficient photothermal actuation at-150℃ for advanced thermal regulation.The hybrid material exhibits stable performance under extreme conditions,making it a promising candidate for biomedical monitoring,flexible electronics,and energy applications.This work establishes hybrid crystalline materials as versatile and scalable platforms for addressing complex technological demands,paving the way for their application in next-generation multifunctional devices.
基金supported by the National Key Research and Development Program of China(Grant Nos.2024YFA1611100,2023YFA1406100,and 2018YFA0704201)the Systematic Fundamental Research Program Leveraging Major Scientific and Technological Infrastructure,Chinese Academy of Sciences(Grant No.JZHKYPT-2021-08)+1 种基金the National Natural Science Foundation of China(Grant Nos.11704385,11874359,and 12274444)the Strategic Priority Research Program(B)of the Chinese Academy of Sciences(Grant No.XDB25000000)。
文摘Temperature-dependent resistivity,upper critical field H_(c2)and its anisotropy in overdoped superconducting Ba_(1-x)K_x Fe_2As_2(x=0.6-1)single crystals have been measured in steady magnetic fields up to 44 T and low temperatures down to 0.4 K.Analysis using both the quadratic term and power-law fitting demonstrates that the in-plane resistivityρ_(ab)(T)progressively approaches the Fermi-liquid T~2behavior with increasing K doping and reaches a saturation plateau at x≈0.8.The temperature dependence of both H_(c2)^(ab)and H^(c)_(c2)follows the Werthamer-Helfand-Hohenberg model,incorporating orbital and spin paramagnetic effects.For x≤0.8,the orbital effect dominates for H ab,while the Pauli paramagnetic effect prevails for H c.For x>0.8,the Pauli paramagnetic effect becomes dominant in both crystallographic directions.The anisotropy of H_(c2)(0)exhibits a discontinuity in its dependence on K doping concentration with a significant enhancement at x=0.8 and a maximum at x=0.9.These experimental results indicate that the electron correlation effect is enhanced in the heavily overdoped Ba_(1-x)K_(x)Fe_(2)As_(2)system where the underlying symmetries are broken due to the Fermi surface reconstruction before x=0.9.
文摘In this work,five kinds of crystals were successfully synthesized using the Czochralski method for the first time,namely Dy∶Ca_(3)Li_(0.275)Nb_(1.775)Ga_(2.95)O_(12)(CLNGG),Dy,Tb∶CLNGG,Dy,Eu∶CLNGG,Tb∶CLNGG,and Eu∶CLNGG.A detailed investigation of spectral features and energy transfer mechanisms in such crystals was conducted by analyzing their optical absorption spectra,excitation and emission spectra,and fluorescence decay curves at ambient tem-perature.Calculations based on the Judd-Ofelt theory further elucidated these features.The results demonstrate that in the Dy^(3+)system,co-doping with Tb^(3+)and Eu^(3+)ions not only enhances the emission cross-sections in the yellow wavelength re-gion but also improves the fluorescence quantum efficiency.These improvements are particularly beneficial for achieving efficient yellow light output from Dy^(3+).Additionally,the studies confirm the occurrence of reciprocal energy transfer be-tween Dy^(3+)and Tb^(3+)ions in Dy,Tb∶CLNGG crystals,whereas unidirectional energy transfer from Dy^(3+)to Eu^(3+)occurs in Dy,Eu∶CLNGG crystals.Based on the obtained research results,Dy,Tb∶CLNGG and Dy,Eu∶CLNGG crystals could be utilized as compelling and potential laser media for diode-pumped all-solid-state yellow lasers.
基金supported by the Research Project on Strengthening the Construction of an Important Ecological Security Barrier in Northern China by Higher Education Institutions in the Inner Mongolia Autonomous Region(STAQZX202313)the Inner Mongolia Autonomous Region Education Science‘14th Five-Year Plan’2024 Annual Research Project(NGJGH2024635).
文摘Vacancy defects,as fundamental disruptions in metallic lattices,play an important role in shaping the mechanical and electronic properties of aluminum crystals.However,the influence of vacancy position under coupled thermomechanical fields remains insufficiently understood.In this study,transmission and scanning electron microscopy were employed to observe dislocation structures and grain boundary heterogeneities in processed aluminum alloys,suggesting stress concentrations and microstructural inhomogeneities associated with vacancy accumulation.To complement these observations,first-principles calculations and molecular dynamics simulations were conducted for seven single-vacancy configurations in face-centered cubic aluminum.The stress response,total energy,density of states(DOS),and differential charge density were examined under varying compressive strain(ε=0–0.1)and temperature(0–600 K).The results indicate that face-centered vacancies tend to reduce mechanical strength and perturb electronic states near the Fermi level,whereas corner and edge vacancies appear to have weaker effects.Elevated temperatures may partially restore electronic uniformity through thermal excitation.Overall,these findings suggest that vacancy position exerts a critical but position-dependent influence on coupled structure-property relationships,offering theoretical insights and preliminary experimental support for defect-engineered aluminum alloy design.
文摘This paper examines the connection between photonic band-gap formation in two types of two-dimensional photonic crystals and the emergence of reverse electromagnetic energy flows generated by linearly polarized plane waves incident on a photonic-crystal slab.We show that these reverse energy flows,observed in both transmitted and reflected fields,originate from vortex structures in the Poynting vector.The resulting energy-flow patterns exhibit striking analogies to vortex formation in fluid motion past obstacles.The geometry and dynamics of the Poynting-vector vortices determine whether the incident electromagnetic energy is impeded,leading to the formation of photonic band gaps,or instead guided through the structure,enabling transmission.
文摘Accurately predicting the synthesizability of inorganic crystal materials serves as a pivotal tool for the efficient screening of viable candidates,substantially reducing the costs associated with extensive experimental trial-and-error processes.However,existing methods,limited by static structural descriptors such as chemical composition and lattice parameters,fail to account for atomic vibrations,which may introduce spurious correlations and undermine predictive reliability.Here,we propose a deep learning model termed integrating graph and dynamical stability(IGDS)for predicting the synthesizability of inorganic crystals.IGDS employs graph representation learning to construct crystal graphs that precisely capture the static structures of crystals and integrates phonon spectral features extracted from pre-trained machine learning interatomic potentials to represent their dynamic properties.Our model exhibits outstanding performance in predicting the synthesizability of low-energy unsynthesizable crystals across 41 material systems,achieving precision and recall values of 0.916/0.863 for ternary compounds.By capturing both static structural descriptors and dynamic features,IGDS provides a physics-informed method for predicting the synthesizability of inorganic crystals.This approach bridges the gap between theoretical design concepts and their practical implementation,thereby streamlining the development cycle of new materials and enhancing overall research efficiency.
基金supported by the National Natural Science Foundation of China(NSFC Nos.52271228,52127802,52201279,52301288,52202298,and 22208262)the Natural Science Foundation of Shaanxi Province(No.2023-JC-ZD-21)+1 种基金the Key Research and Development Plan of Shaanxi Province(No.2023GXLH-046)the Science and Technology Project of Xi'an(No.2021SFGX0004)。
文摘Simultaneous integration of rich oxygen vacancies(OVs)and twin crystals in a photocatalyst can not only significantly enhance the near-infrared(NIR)light response but also greatly improve the photocharge separation and transfer efficiency owing to the induced high electrical conductivity and strong built-in electric field.However,thus far,there has been a lack of a model catalyst containing both twin crystals and OVs.Herein,we develop a simple wet chemical strategy for synthesizing of unprecedented NIR light-responsive OVs-rich Cu_(2)O black nanoparticles with high-density of twin crystals(denoted as black twinned Cu_(2)O).As expected,the black twinned Cu_(2)O exhibits higher visible-NIR and NIR light-driven photodegradation of tetracycline(TC)solution than the counterparts.Significantly,the mechanism insight into twin-dependent photocatalysis in NIR light-responsive Cu_(2)O black nanocrystals with rich OVs is uncovered in depth by density functional theory(DFT)calculations and a series of experimental evidence.Expectantly,this work would be beneficial for the scientific researchers currently focusing on the NIR light-responsive photocatalysis and twin engineering of photocatalysts.
基金the Natural Science Foundation of Jiangsu Province(No.BK20240679)National Natural Science Foundation of China(No.22101134)are greatly acknowledged。
文摘Traditional desorption methods in porous sorbents rely heavily on energy-intensive processes such as heating,vacuum pumping,or inert gas purging[1].While effective,these approaches incur substantial energy and operational costs,particularly for hydrocarbons with high boiling points or strong host-vip interactions[2].This is the same case in the newly-developed macrocyclebased crystalline adsorbents,namely nonporous adaptive crystals(NACs).To address these challenges,a recent study published in Angewandte Chemie International Edition by Jie,Ma,and co-workers reported an innovative molecular-"squeeze"triggered desorption mechanism in NACs[3-5].Specifically,ethyl acetate(EA)triggers vip desorption without penetrating the crystal pores or voids.Instead,EA molecules interact with the crystal surface through supramolecular forces,causing the adaptive closure of voids and the subsequent release of vip molecules.Unlike conventional sponges that rely on mechanical squeeze to deform themselves in the bulk for vip release,these macrocycle crystals undergo structural deformation at the molecular level and condensed phase when exposed to vaporized molecules.Because of the similar behavior between sponges and such NACs,the authors name them as sponge-likemacrocyclecrystals.
文摘Functional crystals are the basic materials for the development of modern science and technology and are playing key roles in the modern information era. In this paper, we review functional crystals in China, including research history, significant achievements, and important applications by highlighting the most recent progress in research. Challenges for the development of functional materials are discussed and possible directions for development are proposed by focusing on potential strengths of these materials.
基金financially supported by the National Natural Science Foundation of China(Nos.52175284 and 52474396)the National Key Research and Development Program of China(No.2022YFB3404201)。
文摘High pressure die casting(HPDC)AlSi10Mn Mg alloy castings are widely used in the automobile industry.Mg can optimize the mechanical properties of castings through heat treatment,while the release of thermal stress arouses the deformation of large integrated die-castings.Herein,the development of non-heat treatment Al alloys is becoming the hot topic.In addition,HPDC contains externally solidified crystals(ESCs),which are detrimental to the mechanical properties of castings.To achieve high strength and toughness of non-heat treatment die-casting Al-Si alloy,we used AlSi9Mn alloy as matrix with the introduction of Zr,Ti,Nb,and Ce.Their influences on ESCs and mechanical properties were systematically investigated through three-dimensional reconstruction and thermodynamic simulation.Our results reveal that the addition of Ti increased ESCs'size and porosity,while the introduction of Nb refined ESCs and decreased porosity.Meanwhile,large-sized Al_3(Zr,Ti)phases formed and degraded the mechanical properties.Subsequent introduction of Ce resulted in the poisoning effect and reduced mechanical properties.
文摘This study reports the synthesis of oleic acid sterol ester with liquid crystalline properties and its enhanced stability and UV-blocking performance through microencapsulation.Oleic acid sterol ester was synthesized via the esterification of phytosterol and oleic acid,whose structure was characterized using Fourier-transform infrared spectroscopy(FTIR)and mass spectrometry(MS).Its liquid crystalline behavior was confirmed via the polarized optical microscopy(POM),thermogravimetric analysis(TGA),differential scanning calorimetry(DSC),wide-angle X-ray scattering(WAXS),and small-angle X-ray scattering(SAXS).UV absorption tests were conducted to assess the UV-blocking performance of the oleic acid sterol ester liquid crystals.To improve the stability of its liquid crystalline structure,the oleic acid sterol ester was encapsulated into microcapsules through the emulsion polymerization.SPF measurements were performed on the sunscreen formulations containing liquid crystal microcapsules.The oleic acid sterol ester displayed cholesteric liquid crystalline behavior and strong UVA absorption,which indicates its suitability as a natural UV absorber.Microencapsulation further enhanced its stability and UV-blocking properties.SPF testing showed that the formulations with microcapsules achieved an SPF value of 7.01,which surpasses the nano titanium dioxide(SPF=6.23)and significantly outperform the unencapsulated liquid crystal formulations(SPF=2.65).This study highlights the potential of microencapsulated oleic acid sterol ester as a novel UV absorber in the sunscreen formulations,offers the enhanced stability and effective UV protection,and showcases its application potential in the innovative cosmetic products.
文摘In order to improVe the pyroelectric properties of TGS crystals,the different dopants were selected according to crystal chemistry principle and pyroelectric effect of molecules and ionic group to grow new modified TGS crystals. The experimental results show that some dopants can improve the pyroelectric proPerties of TGS crystals.
文摘Tamm plasmon polaritons(TPPs)are localized photonic states at the interface between a metal layer and one-dimensional(1D)photonic crystal substrate.Unlike surface plasmon polaritons(SPPs),TPPs can be excited by both transverse magnetic and electric waves without requiring additional coupling optics.TPPs offer robust color filtering,making them ideal for applications such as complementary metal oxide semiconductor(CMOS)image detectors.However,obtaining a large-area,reversible,and reconfigurable filter remains challenging.This study demonstrates a dynamically reconfigurable reflective color filter by integrating an ultrathin antimony trisulfide(Sb_(2)S_(3))layer with Tamm plasmonic photonic crystals.Reconfigurable tuning was achieved by inducing Sb_(2)S_(3) crystallization and reamorphization via thermal and optical activation,respectively.The material exhibited good stability after multiple switching cycles.The reflectance spectrum can be tuned across the visible range,with a shift of approximately 50 nm by switching Sb_(2)S_(3) between its amorphous and crystalline phases.This phase transition is nonvolatile and substantially minimizes the energy consumption,enhancing efficiency for practical applications.Tamm plasmonic photonic crystals are low-cost and large-scale production,offering a platform for compact color display systems and customizable photonic crystal filters for realistic system integration.
基金supported by the National Natural Science Foundation of China(12322406,12404208)the National Key R&D Program of China(2022YFA1403503)+2 种基金China Postdoctoral Science Foundation(2024M750970)the Science and Technology Program of Guangzhou(SL2024A04J00033)the Scientific Research lnnovation Project of Graduate School of South China Normal University.
文摘The unique structure and exceptional properties of two-dimensional(2D)materials offer significant potential for transformative advancements in semiconductor industry.Similar to the reliance on wafer-scale single-crystal ingots for silicon-based chips,practical applications of 2D materials at the chip level need large-scale,high-quality production of 2D single crystals.Over the past two decades,the size of 2D single-crystals has been improved to wafer or meter scale,where the nucleation control during the growth process is particularly important.Therefore,it is essential to conduct a comprehensive review of nucleation control to gain fundamental insights into the growth of 2D single-crystal materials.This review mainly focuses on two aspects:controlling nucleation density to enable the growth from a single nucleus,and controlling nucleation position to achieve the unidirectionally aligned islands and subsequent seamless stitching.Finally,we provide an overview and forecast of the strategic pathways for emerging 2D materials.
文摘We study the topological states(TSs)of all-dielectric honeycomb valley photonic crystals(VPCs).Breaking the space inversion symmetry of the honeycomb lattice by varying the filling ratio of materials for circular ring dielectric columns in the unit cell,which triggers topological phase transitions and thus achieves topological edge states(TESs)and topological corner states(TCSs).The results demonstrate that this structure has efficient photon transmission characteristics and anti-scattering robustness.In particular,we have found that changing the type of edge splicing between VPCs with different topological properties produces a change in the frequency of TCSs,and then based on this phenomenon,we have used a new method of adjusting only the type of edge splicing of the structure to design a novel TCSs combiner that can integrate four TCSs with different frequencies.This work not only expands the variety and number of unexplored TCSs that may exist in a fixed photonic band gap and can be rationalized to be selectively excited in the fixed configuration.Our study provides a feasible pathway for the design of integrated optical devices in which multiple TSs coexist in a single photonic system.
