Conventional ignition methods are proving to be ineffective for low-sensitivity energetic materials,highlighting the need to investigate alternative ignition systems,such as laser-based techniques.Over the past decade...Conventional ignition methods are proving to be ineffective for low-sensitivity energetic materials,highlighting the need to investigate alternative ignition systems,such as laser-based techniques.Over the past decade,lasers have emerged as a promising solution,providing focused energy beams for controllable,efficient,and reliable ignition in the field of energetic materials.This study presents a comparative analysis of two state-of-the-art ignition approaches:direct laser ignition and laser-driven flyer ignition.Experiments were performed using a Neodymium-doped Yttrium Aluminum Garnet(Nd:YAG)laser at different energy beam levels to systematically evaluate ignition onset.In the direct laser ignition test setup,the laser beam was applied directly to the energetic tested material,while laserdriven flyer ignition utilized 40 and 100μm aluminum foils,propelled at velocities ranging from 300 to 1250 m/s.Comparative analysis with the Lawrence and Trott model substantiated the velocity data and provided insight into the ignition mechanisms.Experimental results indicate that the ignition time for the laser-driven flyer method was significantly shorter,with the pyrotechnic composition achieving complete combustion faster compared to direct laser ignition.Moreover,precise ignition thresholds were determined for both methods,providing critical parameters for optimizing ignition systems in energetic materials.This work elucidates the advantages and limitations of each technique while advancing next-generation ignition technology,enhancing the reliability and safety of propulsion systems.展开更多
This paper prepared a novel as-cast W-Zr-Ti metallic ESM using high-frequency vacuum induction melting technique.The above ESM performs a typical elastic-brittle material feature and strain rate strengthening behavior...This paper prepared a novel as-cast W-Zr-Ti metallic ESM using high-frequency vacuum induction melting technique.The above ESM performs a typical elastic-brittle material feature and strain rate strengthening behavior.The specimens exhibit violent chemical reaction during the fracture process under the impact loading,and the size distribution of their residual debris follows Rosin-Rammler model.The dynamic fracture toughness is obtained by the fitting of debris length scale,approximately 1.87 MPa·m~(1/2).Microstructure observation on residual debris indicates that the failure process is determined by primary crack propagation under quasi-static compression,while it is affected by multiple cracks propagation in both particle and matrix in the case of dynamic impact.Impact test demonstrates that the novel energetic fragment performs brilliant penetration and combustion effect behind the front target,leading to the effective ignition of fuel tank.For the brittleness of as-cast W-ZrTi ESM,further study conducted bond-based peridynamic(BB-PD)C++computational code to simulate its fracture behavior during penetration.The BB-PD method successfully captured the fracture process and debris cloud formation of the energetic fragment.This paper explores a novel as-cast metallic ESM,and provides an available numerical avenue to the simulation of brittle energetic fragment.展开更多
Gravitational potential energy （GPE） source and sink due to stirring and cabbeling associated with sigma dif fusion/ advection is analyzed. It is shown that GPE source and sink is too big, and they are not closely l...Gravitational potential energy （GPE） source and sink due to stirring and cabbeling associated with sigma dif fusion/ advection is analyzed. It is shown that GPE source and sink is too big, and they are not closely linked to physical property distribution, such as temperature, salinity and velocity. Although the most frequently quoted advantage of sigma coordinate models are their capability of dealing with topography; the exces sive amount of GPE source and sink due to stirring and cabbeling associated with sigma diffusion/advec tion diagnosed from our analysis raises a very serious question whether the way lateral diffusion/advection simulated in the sigma coordinates model is physically acceptable. GPE source and sink in three coordinates is dramatically different in their magnitude and patterns. Overall, in terms of simulating lateral eddy diffu sion and advection isopycnal coordinates is the best choice and sigma coordinates is the worst. The physical reason of the excessive GPE source and sink in sigma coordinates is further explored in details. However, even in the isopycnal coordinates, simulation based on the Eulerian coordinates can be contaminated by the numerical errors associated with the advection terms.展开更多
Atmospheric escape plays a critical role in shaping the long-term climate evolution of Mars.Among the various escape mechanisms,energetic neutral atoms(ENAs)generated through charge exchange between solar wind ions an...Atmospheric escape plays a critical role in shaping the long-term climate evolution of Mars.Among the various escape mechanisms,energetic neutral atoms(ENAs)generated through charge exchange between solar wind ions and exospheric neutrals serve as an important diagnostic for ion-neutral interactions and upper atmospheric loss.This study presents direct observations of hydrogen ENAs(H-ENAs)on the dayside of Mars by using the Mars Ion and Neutral Particle Analyzer(MINPA)onboard China’s Tianwen-1 orbiter.By analyzing H-ENA data during a coronal mass ejection and a stream interaction region from December 29,2021,to January 1,2022,and comparing these data with MAVEN/SWIA(Mars Atmosphere and Volatile EvolutioN/Solar Wind Ion Analyzer)solar wind measurements,we examine the temporal evolution of H-ENA flux and the associated sputtered escape of atmospheric constituents.The observed H-ENA velocity is consistent with upstream solar wind ions,and the H-ENA-to-ion intensity ratio is used to infer variations in exospheric density,revealing a delayed response to enhanced solar wind activity.Penetrating H-ENA intensities reach up to 5.3×10^(6)s^(−1) cm^(−2),with energy fluxes on the order of(0.5-8.1)×10^(−3) mW/m^(2).The estimated oxygen sputtered escape rate driven by penetrating H-ENAs ranges from 5.5×10^(23)s^(−1) to 5.2×10^(24)s^(−1),comparable to or exceeding previous estimates based on penetrating ions.The findings highlight the need for low-altitude H-ENA observations to better quantify their atmospheric interactions and refine our understanding of nonthermal escape processes at Mars.展开更多
Gravitational Potential Energy （GPE） change due to horizontal/isopycnal eddy diffusion and advection is examined. Horizontal/isopycnal eddy diffusion is conceptually separated into two steps： stirring and sub scale...Gravitational Potential Energy （GPE） change due to horizontal/isopycnal eddy diffusion and advection is examined. Horizontal/isopycnal eddy diffusion is conceptually separated into two steps： stirring and sub scale diffusion. GPE changes associated with these two steps are analyzed. In addition, GPE changes due to stirring and subscale diffusion associated with horizontal/isopycnal advection in the Eulerian coordinates are analyzed. These formulae are applied to the SODA data for the world oceans. Our analysis indicates that horizontal/isopycnal advection in Eulerian coordinates can introduce large artificial diffusion in the model. It is shown that GPE source/sink in isopycnal coordinates is closely linked to physical property distribution, such as temperature, salinity and velocity. In comparison with z-coordinates, GPE source/sink due to stir ring/cabbeling associated with isopycnal diffusion/advection is much smaller. Although isopycnal coordi nates may be a better choice in terms of handling lateral diffusion, advection terms in the traditional Eule rian coordinates can produce artificial source of GPE due to cabbeling associated with advection. Reducing such numerical errors remains a grand challenge.展开更多
Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials.Exploring the underlying factors that affect impact sensitivity and detonation performances as well as ...Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials.Exploring the underlying factors that affect impact sensitivity and detonation performances as well as exploring how to obtain materials with desired properties remains a long-term challenge.Machine learning with its ability to solve complex tasks and perform robust data processing can reveal the relationship between performance and descriptive indicators,potentially accelerating the development process of energetic materials.In this background,impact sensitivity,detonation performances,and 28 physicochemical parameters for 222 energetic materials from density functional theory calculations and published literature were sorted out.Four machine learning algorithms were employed to predict various properties of energetic materials,including impact sensitivity,detonation velocity,detonation pressure,and Gurney energy.Analysis of Pearson coefficients and feature importance showed that the heat of explosion,oxygen balance,decomposition products,and HOMO energy levels have a strong correlation with the impact sensitivity of energetic materials.Oxygen balance,decomposition products,and density have a strong correlation with detonation performances.Utilizing impact sensitivity of 2,3,4-trinitrotoluene and the detonation performances of 2,4,6-trinitrobenzene-1,3,5-triamine as the benchmark,the analysis of feature importance rankings and statistical data revealed the optimal range of key features balancing impact sensitivity and detonation performances:oxygen balance values should be between-40%and-30%,density should range from 1.66 to 1.72 g/cm^(3),HOMO energy levels should be between-6.34 and-6.31 eV,and lipophilicity should be between-1.0 and 0.1,4.49 and 5.59.These findings not only offer important insights into the impact sensitivity and detonation performances of energetic materials,but also provide a theoretical guidance paradigm for the design and development of new energetic materials with optimal detonation performances and reduced sensitivity.展开更多
The present study introduces a screw-pressing charging method to tackle deficiencies in automation and charge uniformity during the melt-casting of polymer-based energetic materials.To ensure the safety of the experim...The present study introduces a screw-pressing charging method to tackle deficiencies in automation and charge uniformity during the melt-casting of polymer-based energetic materials.To ensure the safety of the experiments,this study used inert materials with similar physical properties to partially substitute for the actual energetic components in the preparation of simulant materials.By thoroughly analyzing slurry physical properties,a simulation framework and an extensive performance evaluation method were developed.Such tools guide the design of the structure and configuration of process parameters.Results demonstrate that employing the Pin element significantly enhances radial mixing within the screw,minimizes temperature variations in the slurry,and improves both efficiency and safety in the mixing process.Further,adjustments such as widening the cone angle of the barrel,modifying the solid content of the slurry,and varying the speed of the screw can optimize the mechanical and thermal coupling in the flow field.These adjustments promote higher-quality slurry and create a safer production environment for the extrusion process.展开更多
A high-density tungsten-zirconium-titanium(W-Zr-Ti)reactive alloy was prepared by powder metallurgy.This alloy exhibits high density,high strength,and violent energy release characteristics,resulting in outstanding pe...A high-density tungsten-zirconium-titanium(W-Zr-Ti)reactive alloy was prepared by powder metallurgy.This alloy exhibits high density,high strength,and violent energy release characteristics,resulting in outstanding penetration and ignition abilities.Dynamic impact experiment demonstrated its strain rate hardening effect,and the energetic characteristics were investigated by digital image processing technique and thermal analysis experiment.The results show that W-Zr-Ti reactive alloy performs compressive strength of 2.25 GPa at 5784 s^(-1)strain rate,and its exothermic reaction occurs at about 961 K.Based on the explosion test and shock wave theory,thresholds of enhanced damage effect are less than 35.77 GPa and 5.18×10^(4)kJ/m^(2)for shock pressure and energy,respectively.Furthermore,the transformation of fracture behavior and failure mechanism is revealed,which causes the increase in compressive strength and reaction intensity under dynamic loading.展开更多
This study represents an important step forward in the domain of additive manufacturing of energetic materials.It presents the successful formulation and fabrication by 3D printing of gun propellants using Fused Depos...This study represents an important step forward in the domain of additive manufacturing of energetic materials.It presents the successful formulation and fabrication by 3D printing of gun propellants using Fused Deposition Modeling(FDM)technology,highlighting the immense potential of this innovative approach.The use of FDM additive manufacturing technology to print gun propellants is a significant advancement due to its novel application in this field,which has not been previously reported.Through this study,the potential of FDM 3D-printing in the production of high-performance energetic composites is demonstrated,and also a new standard for manufacturability in this field can be established.The thermoplastic composites developed in this study are characterized by a notably high energetic solids content,comprising 70%hexogen(RDX)and 10%nitrocellulose(NC),which surpasses the conventional limit of 60%energetic solids typically achieved in stereolithography and light-curing 3D printing methods.The primary objective of the study was to optimize the formulation,enhance performance,and establish an equilibrium between printability and propellant efficacy.Among the three energetic for-mulations developed for 3D printing feedstock,only two were suitable for printing via the FDM tech-nique.Notably,the formulation consisting of 70%RDX,10%NC,and 20%polycaprolactone(PCL)emerged as the most advantageous option for gun propellants,owing to its exceptional processability,ease of printability,and high energetic performance.展开更多
This study preliminarily investigates the structure-activity relationships of novel [5,6]-fused ring energetic materials derived from the 6-nitro-7-azido-pyrazol [3,4-d][1,2,3]triazine 2-oxide(ICM-103) skeleton, empha...This study preliminarily investigates the structure-activity relationships of novel [5,6]-fused ring energetic materials derived from the 6-nitro-7-azido-pyrazol [3,4-d][1,2,3]triazine 2-oxide(ICM-103) skeleton, emphasizing the role of functional group substitution in tailoring key properties such as detonation performance and mechanical sensitivity. Strategic incorporation of nitrogen-rich substituents(e.g., hydrazine, guanidine) into the 1,2,3-triazine 2-oxide framework yielded compounds with diverse performance characteristics. Notably, compound 2 demonstrates energy performance(D = 8916 m·s^(-1) and P = 36.80 GPa) comparable to RDX, yet with lower mechanical sensitivity(IS = 37 J). Theoretical calculations show that the properties of the substituents themselves and their coupling with the molecular skeleton jointly determine the key properties of the target molecules. This study provides a framework for the customized design of energetic materials by linking the chemical properties of substituents with the performance parameters of target molecules. These findings highlight the potential of local molecular structural modification driven by structure-activity relationship analysis in promoting the development of next-generation energetic materials and lay a solid foundation for future research in this field.展开更多
Due to the presence of nitro groups, the dust generated during the production and utilization of energetic materials may potentially lead to dust explosion even under low-oxygen or anaerobic conditions.Considering the...Due to the presence of nitro groups, the dust generated during the production and utilization of energetic materials may potentially lead to dust explosion even under low-oxygen or anaerobic conditions.Considering the high energy density of energetic materials, dust explosion can cause serious production safety accidents. Therefore, it is necessary to understand the dust explosion characteristics of energetic materials and the mechanism of dust explosion. According to the literature review, among various influencing factors, the physical and chemical properties of dust are the decisive factors affecting the explosion characteristics of dust. In addition to experimental studies, numerical simulation is another important tool. However, it is subjected to certain limitations. Moreover, it is essential but challenging to fully understand the underlying mechanism. In addition, given the safety hazards posed by dust explosion, explosion suppression has attracted extensive attention for research. Depending on the medium used, there are different forms of suppression, including powder explosion suppression, water spray explosion suppression, inert gas explosion suppression, porous material explosion suppression, and vacuum chamber explosion suppression. As for the selection of explosion suppression agent, consideration must be given to the characteristics of the material. Furthermore, the above research has laid a foundation for discussing the future progress in studying dust explosion of energetic materials, with nano dust and the constraints of existing technology as the focal point.展开更多
In order to find the optimal anions and cations for designing energetic salts with excellent detonation properties,the properties of 140 salts formed from the anions(A–G)of 3,3′-dinitroamino-4,4′-azoxyfurazan(DAAF)...In order to find the optimal anions and cations for designing energetic salts with excellent detonation properties,the properties of 140 salts formed from the anions(A–G)of 3,3′-dinitroamino-4,4′-azoxyfurazan(DAAF)derivatives substituted with the—NH_(2),—N_(3) or—NO_(2) group and the cations(1–20)of guanidine,triazole,or tetrazole derivatives were investigated by means of density-functional theory.The predicted densities,heats of formation,detonation velocities(D),and detonation pressures(P)of 140 salts were 11.72 to 2.06 g·cm ^(−3),570.2 to 2333.4 kJ·mol^(−1),8.29 to 10.02 km·s^(−1) and 30.16 to 47.57 GPa,respectively.Most of the salts had better detonation properties than the widely used hexahydro-1,3,5-trinitro-1,3,5-triazine(RDX).Salts containing—NO_(2) group anions(C and F)have better detonation properties(D is 8.88 to 10.02 km·s^(−1) and P is 35.75 to 47.75 GPa)than other salts.Salts containing the cations NH_(4)^(+)(1),NH_(3)OH^(+)(2)and CH_(2)N_(4)NO_(2)^(+)(20)had good detonation properties(D is 9.38 to 10.02 km·s^(−1) and P is 40.72 to 47.75 GPa).Depending on the detonation properties,anions(C and F)and cations(1,2 and 20)are the recommended ions for the generation of energetic salts.展开更多
The simultaneous integration of high energy density,low sensitivity,and thermal stability in energetic materials has constituted a century-long scientific challenge.Herein,we address this through a dualzwitterionic el...The simultaneous integration of high energy density,low sensitivity,and thermal stability in energetic materials has constituted a century-long scientific challenge.Herein,we address this through a dualzwitterionic electronic delocalization strategy,yielding TYX-3,the first bis-inner salt triazolo-tetrazine framework combining these mutually exclusive properties.Uniformπ-electron distribution and elevated bond dissociation energy confer exceptional thermal stability(T_(d)=365℃)with TATB-level insensitivity(impact sensitivity IS>40 J,friction sensitivity FS>360 N).Engineeredπ-stacked networks enable record density(1.99 g·cm^(-3))with detonation performance surpassing HMX benchmarks(detonation velocity 9315 m·s^(-1),detonation pressure 36.6 GPa).Practical implementation in Poly(3-nitratomethyl-3-methyloxetane)(PNMMFO)solid propellants demonstrates 5.4-fold safety enhancement over conventional HMX-based formulations while maintaining equivalent specific impulse.This work establishes a new design paradigm for energetic materials,overcoming the historical trade-offs between molecular stability and energy output through rational zwitterionic engineering.展开更多
Energetic materials,characterized by their capacity to store and release substantial energy,hold pivotal significance in some fields,particularly in defense applications.Microfluidics,with its ability to manipulate fl...Energetic materials,characterized by their capacity to store and release substantial energy,hold pivotal significance in some fields,particularly in defense applications.Microfluidics,with its ability to manipulate fluids and facilitate droplet formation at the microscale,enables precise control of chemical reactions.Recent scholarly endeavors have increasingly harnessed microfluidic reactors in the realm of energetic materials,yielding morphologically controllable particles with enhanced uniformity and explosive efficacy.However,crucial insights into microfluidic-based methodologies are dispersed across various publications,necessitating a systematic compilation.Accordingly,this review addresses this gap by concentrating on the synthesis of energetic materials through microfluidics.Specifically,the methods based on micro-mixing and droplets in the previous papers are summarized and the strategies to control the critical parameters within chemical reactions are discussed in detail.Then,the comparison in terms of advantages and disadvantages is attempted.As demonstrated in the last section regarding perspectives,challenges such as clogging,dead zones,and suboptimal production yields are non-ignoble in the promising fields and they might be addressed by integrating sound,optics,or electrical energy to meet heightened requirements.This comprehensive overview aims to consolidate and analyze the diverse array of microfluidic approaches in energetic material synthesis,offering valuable insights for future research directions.展开更多
The activation of the N≡N triple bond in N_(2) is a fascinating topic in nitrogen chemistry.The transition metals have been demonstrated to effectively modulate the reactivity of N_(2) molecules under high pressure,l...The activation of the N≡N triple bond in N_(2) is a fascinating topic in nitrogen chemistry.The transition metals have been demonstrated to effectively modulate the reactivity of N_(2) molecules under high pressure,leading to nitrogen-rich compounds.However,their use often results in a significant reduction in energy density.In this work,we propose a series of low-enthalpy nitrogen-rich phases in CN_(x)(x=3,...,7)compounds using a first-principles crystal structure search method.The results of calculations reveal that all these CN compounds are assembled from both CN_(4) tetrahedra and N_(x)(x=1,2,or 5)species.Strikingly,we find that the CN_(4) tetrahedron can effectively activate the N≡N bond through weakening of the π orbital of N_(2) under a pressure of 40 GPa,leading to stable CN polynitrides.The robust structural framework of CN polynitrides containing C-N and N-N bonds plays a crucial role in enhancing their structural stability,energy density,and hardness.Among these polynitrides,CN_(6) possesses not only a very high mass density of 3.19 g/cm^(3),but also an ultrahigh energy density of 28.94 kJ/cm^(3),which represents a significant advance in the development of energetic materials using high-pressure methods.This work provides new insights into the mechanism of N_(2) activation under high pressure,and offers a promising pathway to realize high-performance energetic materials.展开更多
The energy spectrum of energetic particles in space often shows a non-thermal spectral shape with two spectral transitions/breaks over a wide energy range, carrying crucial information about their acceleration, releas...The energy spectrum of energetic particles in space often shows a non-thermal spectral shape with two spectral transitions/breaks over a wide energy range, carrying crucial information about their acceleration, release and transportation process. To self-consistently characterize the spectral features of energetic particles, here we propose a novel extended pan-spectrum(EPS) formula to fit the particle energy-flux spectrum, which has the merit that can incorporate many commonly used spectrum functions with one spectral transition, including the pan-spectrum, double-power-law, Kappa, Ellison-Ramaty(ER) functions, etc. The formula can also determine the spectral shape with two spectral transitions, including the triple-power-law function, Kappa distribution(at low energy)plus power law(at high energy), power law(at low energy) plus ER function, etc. Considering the uncertainties in both J and E, we can fit this EPS formula well to the representative energy spectra of various particle phenomena in space, including solar energetic particles(electrons, protons, ~3He and heavier ions), anomalous cosmic rays, solar wind suprathermal particles(halo and superhalo electrons;pick-up ions and the suprathermal tail), etc. Therefore, the EPS fitting can help us self-consistently determine the spectral features of different particle phenomena, and improve our understanding of the physical nature of the origin, acceleration, and transportation of energetic particles in space.展开更多
Metal superhydride compounds(MSHCs)have attracted much attention in the fields of high-pressure physics due to the superconductivity properties deriving from the metallic-hydrogen-like characteristics and relatively m...Metal superhydride compounds(MSHCs)have attracted much attention in the fields of high-pressure physics due to the superconductivity properties deriving from the metallic-hydrogen-like characteristics and relatively mild synthesis conditions.However,their energetic performance and related potential applications are still open issues till now.In this study,CaH_(6)and NbH_(3),which exhibit evidently differences in their geometric and electronic structures,were chosen as examples of MSHCs to investigate their energetic performance.The structure,bonding features and energetic performance of CaH_(6)and NbH_(3)were predicted based on first-principles calculations.Our results reveal that high-pressure MSHCs always exhibit high energy densities.The range of theoretical energy density of CaH_(6)was predicted as 2.3-5.3 times of TNT,while the value for NbH_(3)was predicted as 1.2 times of TNT.Our study further uncover that CaH_(6)has outstanding energetic properties,which are ascribed to the three-dimensional(3D)aromatic H sublattice and the strong covalent bonding between the H atoms.Moreover,the detonation process and products of rapid energy-release stage of CaH_(6)were simulated via AIMD method,based on which its superior combustion performance was predicted and its specific impulse was calculated as 490.66 s.This study not only enhances the chemical understanding of MSHCs,but also extends the paradigm of traditional energetic materials and provides a new route to design novel high energy density materials.展开更多
Herein,a first example of energetic-energetic cocrystal polymorphs with a 1:1 M ratio was discovered by cocrystallizing CL-20(2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane)with 1,3-DNP(1,3-dinitropyrazole...Herein,a first example of energetic-energetic cocrystal polymorphs with a 1:1 M ratio was discovered by cocrystallizing CL-20(2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane)with 1,3-DNP(1,3-dinitropyrazole).These two energetic cocrystal polymorphs(cocrystal 1 and cocrystal 2)exhibit distinct crystal packing styles,which lead to significant variations in their physicochemical properties.Notably,cocrystal 2 has a high density of 1.963 g·cm^(-3)at 170 K,exhibiting high detonation performances(9187 m·s^(-1);38.68 GPa)comparable to HMX(1,3,5,7-tetranitro-1,3,5,7-tetrazocane)meanwhile displaying an improved safety(10 J)relative to RDX(1,3,5-trinitro-1,3,5-triazinane),making it a potential high-energy,low-sensitivity energetic material.This work opens up a new strategy to deeply tune properties of energetic materials by constructing energetic-energetic cocrystal polymorphs.These energetic cocrystal polymorphs represent a new field of energetic materials that has not yet been studied.展开更多
A strong built-in electric field(V_(bi))is the key to achieving rapid separation of photogenerated carriers in perovskite solar cells.This is particularly important for hole transport layer(HTL)free carbon-based perov...A strong built-in electric field(V_(bi))is the key to achieving rapid separation of photogenerated carriers in perovskite solar cells.This is particularly important for hole transport layer(HTL)free carbon-based perovskite solar cells(C-PSCs),which have a large interface energy level mismatch.The regulation of perovslite's surface energetics is an effective way to improve the V_(bi)and promote charge extraction,which is typically achieved by organic molecules.However,the insulating nature of organic molecules also negatively hinders charge transfer,resulting in a contradiction of"extraction-transport".Quantum dots(Q.Ds)have great potential for energetics regulation of perovskite film due to their semiconductor properties and inherent large dipole moments,but have not yet been explored.In this work,we propose a strategy of discrete embedding semiconductor QDs at the surface grain boundaries of the perovskite film to regulate surface energetics.The QDs change the energetics of the perovskite film surface,transforming the surface energetics from n-to p-type,thus constructing p-n homojunction at the interface.This significantly enhances the Vbi at the perovskite/carbon electrode interface,promoting hole extraction.In addition,the embedded discrete distribution of QDs at the upper surface grain boundaries ensures efficient transport of the extracted holes to the carbon electrode,overcoming the contradiction of"extraction-transport"for traditional energetics control strategies.Consequently,the fabricated planar HTL-free C-PSCs achieve an efficiency of 20.10%(certified 19.8%),which is one of the highest values reported for this kind of device.展开更多
文摘Conventional ignition methods are proving to be ineffective for low-sensitivity energetic materials,highlighting the need to investigate alternative ignition systems,such as laser-based techniques.Over the past decade,lasers have emerged as a promising solution,providing focused energy beams for controllable,efficient,and reliable ignition in the field of energetic materials.This study presents a comparative analysis of two state-of-the-art ignition approaches:direct laser ignition and laser-driven flyer ignition.Experiments were performed using a Neodymium-doped Yttrium Aluminum Garnet(Nd:YAG)laser at different energy beam levels to systematically evaluate ignition onset.In the direct laser ignition test setup,the laser beam was applied directly to the energetic tested material,while laserdriven flyer ignition utilized 40 and 100μm aluminum foils,propelled at velocities ranging from 300 to 1250 m/s.Comparative analysis with the Lawrence and Trott model substantiated the velocity data and provided insight into the ignition mechanisms.Experimental results indicate that the ignition time for the laser-driven flyer method was significantly shorter,with the pyrotechnic composition achieving complete combustion faster compared to direct laser ignition.Moreover,precise ignition thresholds were determined for both methods,providing critical parameters for optimizing ignition systems in energetic materials.This work elucidates the advantages and limitations of each technique while advancing next-generation ignition technology,enhancing the reliability and safety of propulsion systems.
文摘This paper prepared a novel as-cast W-Zr-Ti metallic ESM using high-frequency vacuum induction melting technique.The above ESM performs a typical elastic-brittle material feature and strain rate strengthening behavior.The specimens exhibit violent chemical reaction during the fracture process under the impact loading,and the size distribution of their residual debris follows Rosin-Rammler model.The dynamic fracture toughness is obtained by the fitting of debris length scale,approximately 1.87 MPa·m~(1/2).Microstructure observation on residual debris indicates that the failure process is determined by primary crack propagation under quasi-static compression,while it is affected by multiple cracks propagation in both particle and matrix in the case of dynamic impact.Impact test demonstrates that the novel energetic fragment performs brilliant penetration and combustion effect behind the front target,leading to the effective ignition of fuel tank.For the brittleness of as-cast W-ZrTi ESM,further study conducted bond-based peridynamic(BB-PD)C++computational code to simulate its fracture behavior during penetration.The BB-PD method successfully captured the fracture process and debris cloud formation of the energetic fragment.This paper explores a novel as-cast metallic ESM,and provides an available numerical avenue to the simulation of brittle energetic fragment.
文摘Gravitational potential energy （GPE） source and sink due to stirring and cabbeling associated with sigma dif fusion/ advection is analyzed. It is shown that GPE source and sink is too big, and they are not closely linked to physical property distribution, such as temperature, salinity and velocity. Although the most frequently quoted advantage of sigma coordinate models are their capability of dealing with topography; the exces sive amount of GPE source and sink due to stirring and cabbeling associated with sigma diffusion/advec tion diagnosed from our analysis raises a very serious question whether the way lateral diffusion/advection simulated in the sigma coordinates model is physically acceptable. GPE source and sink in three coordinates is dramatically different in their magnitude and patterns. Overall, in terms of simulating lateral eddy diffu sion and advection isopycnal coordinates is the best choice and sigma coordinates is the worst. The physical reason of the excessive GPE source and sink in sigma coordinates is further explored in details. However, even in the isopycnal coordinates, simulation based on the Eulerian coordinates can be contaminated by the numerical errors associated with the advection terms.
基金supported by the National Natural Science Foundation of China (Grant Nos. 42188101, 42274211, 41974170, 42374184, 42122032, and 41974196)the Chinese Academy of Sciences (Grant Nos. QYZDJSSW-JSC028, XDA15052500, XDA17010301, and XDB41000000)+3 种基金the CNSA (Grant No. D050103)the Specialized Research Fund for State Key Laboratories of Chinathe Specialized Research Fund for Laboratory of Geospace Environment of the University of Science and Technology of Chinasupported by the International Space Science Institute (ISSI) in Bern and Beijing through the ISSI/ISSI-BJ International Team Project titled “Understanding the Mars Space Environment Through Multi-Spacecraft Measurements” (ISSI Team Project No. 23-582 and ISSI-BJ Team Project No. 58)
文摘Atmospheric escape plays a critical role in shaping the long-term climate evolution of Mars.Among the various escape mechanisms,energetic neutral atoms(ENAs)generated through charge exchange between solar wind ions and exospheric neutrals serve as an important diagnostic for ion-neutral interactions and upper atmospheric loss.This study presents direct observations of hydrogen ENAs(H-ENAs)on the dayside of Mars by using the Mars Ion and Neutral Particle Analyzer(MINPA)onboard China’s Tianwen-1 orbiter.By analyzing H-ENA data during a coronal mass ejection and a stream interaction region from December 29,2021,to January 1,2022,and comparing these data with MAVEN/SWIA(Mars Atmosphere and Volatile EvolutioN/Solar Wind Ion Analyzer)solar wind measurements,we examine the temporal evolution of H-ENA flux and the associated sputtered escape of atmospheric constituents.The observed H-ENA velocity is consistent with upstream solar wind ions,and the H-ENA-to-ion intensity ratio is used to infer variations in exospheric density,revealing a delayed response to enhanced solar wind activity.Penetrating H-ENA intensities reach up to 5.3×10^(6)s^(−1) cm^(−2),with energy fluxes on the order of(0.5-8.1)×10^(−3) mW/m^(2).The estimated oxygen sputtered escape rate driven by penetrating H-ENAs ranges from 5.5×10^(23)s^(−1) to 5.2×10^(24)s^(−1),comparable to or exceeding previous estimates based on penetrating ions.The findings highlight the need for low-altitude H-ENA observations to better quantify their atmospheric interactions and refine our understanding of nonthermal escape processes at Mars.
文摘Gravitational Potential Energy （GPE） change due to horizontal/isopycnal eddy diffusion and advection is examined. Horizontal/isopycnal eddy diffusion is conceptually separated into two steps： stirring and sub scale diffusion. GPE changes associated with these two steps are analyzed. In addition, GPE changes due to stirring and subscale diffusion associated with horizontal/isopycnal advection in the Eulerian coordinates are analyzed. These formulae are applied to the SODA data for the world oceans. Our analysis indicates that horizontal/isopycnal advection in Eulerian coordinates can introduce large artificial diffusion in the model. It is shown that GPE source/sink in isopycnal coordinates is closely linked to physical property distribution, such as temperature, salinity and velocity. In comparison with z-coordinates, GPE source/sink due to stir ring/cabbeling associated with isopycnal diffusion/advection is much smaller. Although isopycnal coordi nates may be a better choice in terms of handling lateral diffusion, advection terms in the traditional Eule rian coordinates can produce artificial source of GPE due to cabbeling associated with advection. Reducing such numerical errors remains a grand challenge.
基金supported by the Fundamental Research Funds for the Central Universities(Grant No.2682024GF019)。
文摘Excellent detonation performances and low sensitivity are prerequisites for the deployment of energetic materials.Exploring the underlying factors that affect impact sensitivity and detonation performances as well as exploring how to obtain materials with desired properties remains a long-term challenge.Machine learning with its ability to solve complex tasks and perform robust data processing can reveal the relationship between performance and descriptive indicators,potentially accelerating the development process of energetic materials.In this background,impact sensitivity,detonation performances,and 28 physicochemical parameters for 222 energetic materials from density functional theory calculations and published literature were sorted out.Four machine learning algorithms were employed to predict various properties of energetic materials,including impact sensitivity,detonation velocity,detonation pressure,and Gurney energy.Analysis of Pearson coefficients and feature importance showed that the heat of explosion,oxygen balance,decomposition products,and HOMO energy levels have a strong correlation with the impact sensitivity of energetic materials.Oxygen balance,decomposition products,and density have a strong correlation with detonation performances.Utilizing impact sensitivity of 2,3,4-trinitrotoluene and the detonation performances of 2,4,6-trinitrobenzene-1,3,5-triamine as the benchmark,the analysis of feature importance rankings and statistical data revealed the optimal range of key features balancing impact sensitivity and detonation performances:oxygen balance values should be between-40%and-30%,density should range from 1.66 to 1.72 g/cm^(3),HOMO energy levels should be between-6.34 and-6.31 eV,and lipophilicity should be between-1.0 and 0.1,4.49 and 5.59.These findings not only offer important insights into the impact sensitivity and detonation performances of energetic materials,but also provide a theoretical guidance paradigm for the design and development of new energetic materials with optimal detonation performances and reduced sensitivity.
基金financially supported by the Fundamental Research Funds for the Central Universities(Grant No.30923011018)。
文摘The present study introduces a screw-pressing charging method to tackle deficiencies in automation and charge uniformity during the melt-casting of polymer-based energetic materials.To ensure the safety of the experiments,this study used inert materials with similar physical properties to partially substitute for the actual energetic components in the preparation of simulant materials.By thoroughly analyzing slurry physical properties,a simulation framework and an extensive performance evaluation method were developed.Such tools guide the design of the structure and configuration of process parameters.Results demonstrate that employing the Pin element significantly enhances radial mixing within the screw,minimizes temperature variations in the slurry,and improves both efficiency and safety in the mixing process.Further,adjustments such as widening the cone angle of the barrel,modifying the solid content of the slurry,and varying the speed of the screw can optimize the mechanical and thermal coupling in the flow field.These adjustments promote higher-quality slurry and create a safer production environment for the extrusion process.
基金National Natural Science Foundation of China(12002045)Supported by State Key Laboratory of Explosion Science and Safety Protection,Beijing Institute of Technology(QNKT22-09)。
文摘A high-density tungsten-zirconium-titanium(W-Zr-Ti)reactive alloy was prepared by powder metallurgy.This alloy exhibits high density,high strength,and violent energy release characteristics,resulting in outstanding penetration and ignition abilities.Dynamic impact experiment demonstrated its strain rate hardening effect,and the energetic characteristics were investigated by digital image processing technique and thermal analysis experiment.The results show that W-Zr-Ti reactive alloy performs compressive strength of 2.25 GPa at 5784 s^(-1)strain rate,and its exothermic reaction occurs at about 961 K.Based on the explosion test and shock wave theory,thresholds of enhanced damage effect are less than 35.77 GPa and 5.18×10^(4)kJ/m^(2)for shock pressure and energy,respectively.Furthermore,the transformation of fracture behavior and failure mechanism is revealed,which causes the increase in compressive strength and reaction intensity under dynamic loading.
基金supported by a grant from the Ministry of Research, Innovation and Digitization, UEFISCDI, Grant Nos. PN-IIIP2-2.1-PED-2021-1890, PN-IV-P6-6.3-SOL-2024-2-0254 and PNIV-P7-7.1-PTE-2024-0517, within PNCDI Ⅳ.
文摘This study represents an important step forward in the domain of additive manufacturing of energetic materials.It presents the successful formulation and fabrication by 3D printing of gun propellants using Fused Deposition Modeling(FDM)technology,highlighting the immense potential of this innovative approach.The use of FDM additive manufacturing technology to print gun propellants is a significant advancement due to its novel application in this field,which has not been previously reported.Through this study,the potential of FDM 3D-printing in the production of high-performance energetic composites is demonstrated,and also a new standard for manufacturability in this field can be established.The thermoplastic composites developed in this study are characterized by a notably high energetic solids content,comprising 70%hexogen(RDX)and 10%nitrocellulose(NC),which surpasses the conventional limit of 60%energetic solids typically achieved in stereolithography and light-curing 3D printing methods.The primary objective of the study was to optimize the formulation,enhance performance,and establish an equilibrium between printability and propellant efficacy.Among the three energetic for-mulations developed for 3D printing feedstock,only two were suitable for printing via the FDM tech-nique.Notably,the formulation consisting of 70%RDX,10%NC,and 20%polycaprolactone(PCL)emerged as the most advantageous option for gun propellants,owing to its exceptional processability,ease of printability,and high energetic performance.
基金financial support from the National Natural Science Foundation of China (Grant No.22375190)。
文摘This study preliminarily investigates the structure-activity relationships of novel [5,6]-fused ring energetic materials derived from the 6-nitro-7-azido-pyrazol [3,4-d][1,2,3]triazine 2-oxide(ICM-103) skeleton, emphasizing the role of functional group substitution in tailoring key properties such as detonation performance and mechanical sensitivity. Strategic incorporation of nitrogen-rich substituents(e.g., hydrazine, guanidine) into the 1,2,3-triazine 2-oxide framework yielded compounds with diverse performance characteristics. Notably, compound 2 demonstrates energy performance(D = 8916 m·s^(-1) and P = 36.80 GPa) comparable to RDX, yet with lower mechanical sensitivity(IS = 37 J). Theoretical calculations show that the properties of the substituents themselves and their coupling with the molecular skeleton jointly determine the key properties of the target molecules. This study provides a framework for the customized design of energetic materials by linking the chemical properties of substituents with the performance parameters of target molecules. These findings highlight the potential of local molecular structural modification driven by structure-activity relationship analysis in promoting the development of next-generation energetic materials and lay a solid foundation for future research in this field.
基金the financial support of the Shanxi Fire & Explosion-Proofing Safety Engineering and Technology Research Center, North University of China。
文摘Due to the presence of nitro groups, the dust generated during the production and utilization of energetic materials may potentially lead to dust explosion even under low-oxygen or anaerobic conditions.Considering the high energy density of energetic materials, dust explosion can cause serious production safety accidents. Therefore, it is necessary to understand the dust explosion characteristics of energetic materials and the mechanism of dust explosion. According to the literature review, among various influencing factors, the physical and chemical properties of dust are the decisive factors affecting the explosion characteristics of dust. In addition to experimental studies, numerical simulation is another important tool. However, it is subjected to certain limitations. Moreover, it is essential but challenging to fully understand the underlying mechanism. In addition, given the safety hazards posed by dust explosion, explosion suppression has attracted extensive attention for research. Depending on the medium used, there are different forms of suppression, including powder explosion suppression, water spray explosion suppression, inert gas explosion suppression, porous material explosion suppression, and vacuum chamber explosion suppression. As for the selection of explosion suppression agent, consideration must be given to the characteristics of the material. Furthermore, the above research has laid a foundation for discussing the future progress in studying dust explosion of energetic materials, with nano dust and the constraints of existing technology as the focal point.
文摘In order to find the optimal anions and cations for designing energetic salts with excellent detonation properties,the properties of 140 salts formed from the anions(A–G)of 3,3′-dinitroamino-4,4′-azoxyfurazan(DAAF)derivatives substituted with the—NH_(2),—N_(3) or—NO_(2) group and the cations(1–20)of guanidine,triazole,or tetrazole derivatives were investigated by means of density-functional theory.The predicted densities,heats of formation,detonation velocities(D),and detonation pressures(P)of 140 salts were 11.72 to 2.06 g·cm ^(−3),570.2 to 2333.4 kJ·mol^(−1),8.29 to 10.02 km·s^(−1) and 30.16 to 47.57 GPa,respectively.Most of the salts had better detonation properties than the widely used hexahydro-1,3,5-trinitro-1,3,5-triazine(RDX).Salts containing—NO_(2) group anions(C and F)have better detonation properties(D is 8.88 to 10.02 km·s^(−1) and P is 35.75 to 47.75 GPa)than other salts.Salts containing the cations NH_(4)^(+)(1),NH_(3)OH^(+)(2)and CH_(2)N_(4)NO_(2)^(+)(20)had good detonation properties(D is 9.38 to 10.02 km·s^(−1) and P is 40.72 to 47.75 GPa).Depending on the detonation properties,anions(C and F)and cations(1,2 and 20)are the recommended ions for the generation of energetic salts.
基金supported by the National Natural Science Foundation of China(Grant Nos.22105156,22175139,22171136,and 22302156)the China National Science Fund for Distinguished Young Scholars(Grant No.22325504)。
文摘The simultaneous integration of high energy density,low sensitivity,and thermal stability in energetic materials has constituted a century-long scientific challenge.Herein,we address this through a dualzwitterionic electronic delocalization strategy,yielding TYX-3,the first bis-inner salt triazolo-tetrazine framework combining these mutually exclusive properties.Uniformπ-electron distribution and elevated bond dissociation energy confer exceptional thermal stability(T_(d)=365℃)with TATB-level insensitivity(impact sensitivity IS>40 J,friction sensitivity FS>360 N).Engineeredπ-stacked networks enable record density(1.99 g·cm^(-3))with detonation performance surpassing HMX benchmarks(detonation velocity 9315 m·s^(-1),detonation pressure 36.6 GPa).Practical implementation in Poly(3-nitratomethyl-3-methyloxetane)(PNMMFO)solid propellants demonstrates 5.4-fold safety enhancement over conventional HMX-based formulations while maintaining equivalent specific impulse.This work establishes a new design paradigm for energetic materials,overcoming the historical trade-offs between molecular stability and energy output through rational zwitterionic engineering.
基金financially supported by Science and Technology on Applied Physical Chemistry Laboratory,China(Grant No.61426022220303)supported by the Young Scientists Fund of the National Natural Science Foundation of China(Grant No.52305617)。
文摘Energetic materials,characterized by their capacity to store and release substantial energy,hold pivotal significance in some fields,particularly in defense applications.Microfluidics,with its ability to manipulate fluids and facilitate droplet formation at the microscale,enables precise control of chemical reactions.Recent scholarly endeavors have increasingly harnessed microfluidic reactors in the realm of energetic materials,yielding morphologically controllable particles with enhanced uniformity and explosive efficacy.However,crucial insights into microfluidic-based methodologies are dispersed across various publications,necessitating a systematic compilation.Accordingly,this review addresses this gap by concentrating on the synthesis of energetic materials through microfluidics.Specifically,the methods based on micro-mixing and droplets in the previous papers are summarized and the strategies to control the critical parameters within chemical reactions are discussed in detail.Then,the comparison in terms of advantages and disadvantages is attempted.As demonstrated in the last section regarding perspectives,challenges such as clogging,dead zones,and suboptimal production yields are non-ignoble in the promising fields and they might be addressed by integrating sound,optics,or electrical energy to meet heightened requirements.This comprehensive overview aims to consolidate and analyze the diverse array of microfluidic approaches in energetic material synthesis,offering valuable insights for future research directions.
基金supported by the Higher Educational Youth Innovation Science and Technology Program Shandong Province(Grant Nos.2022KJ183 and 2022KJ175)the Natural Science Foundation of Shandong Province(Grant Nos.ZR2023MA016 and ZR2023JQ001)+1 种基金the National Natural Science Foundation of China(Grant Nos.11974208 and 12374012)financial support from the award of Taishan Scholar(Grant No.tsqn202211128).
文摘The activation of the N≡N triple bond in N_(2) is a fascinating topic in nitrogen chemistry.The transition metals have been demonstrated to effectively modulate the reactivity of N_(2) molecules under high pressure,leading to nitrogen-rich compounds.However,their use often results in a significant reduction in energy density.In this work,we propose a series of low-enthalpy nitrogen-rich phases in CN_(x)(x=3,...,7)compounds using a first-principles crystal structure search method.The results of calculations reveal that all these CN compounds are assembled from both CN_(4) tetrahedra and N_(x)(x=1,2,or 5)species.Strikingly,we find that the CN_(4) tetrahedron can effectively activate the N≡N bond through weakening of the π orbital of N_(2) under a pressure of 40 GPa,leading to stable CN polynitrides.The robust structural framework of CN polynitrides containing C-N and N-N bonds plays a crucial role in enhancing their structural stability,energy density,and hardness.Among these polynitrides,CN_(6) possesses not only a very high mass density of 3.19 g/cm^(3),but also an ultrahigh energy density of 28.94 kJ/cm^(3),which represents a significant advance in the development of energetic materials using high-pressure methods.This work provides new insights into the mechanism of N_(2) activation under high pressure,and offers a promising pathway to realize high-performance energetic materials.
基金supported in part by NSFC under contracts 42225404, 42127803, 42150105by National Key R&D Program of China No. 2021YFA0718600by ISSI-BJ through the international teams Nos. 23-581 and 56。
文摘The energy spectrum of energetic particles in space often shows a non-thermal spectral shape with two spectral transitions/breaks over a wide energy range, carrying crucial information about their acceleration, release and transportation process. To self-consistently characterize the spectral features of energetic particles, here we propose a novel extended pan-spectrum(EPS) formula to fit the particle energy-flux spectrum, which has the merit that can incorporate many commonly used spectrum functions with one spectral transition, including the pan-spectrum, double-power-law, Kappa, Ellison-Ramaty(ER) functions, etc. The formula can also determine the spectral shape with two spectral transitions, including the triple-power-law function, Kappa distribution(at low energy)plus power law(at high energy), power law(at low energy) plus ER function, etc. Considering the uncertainties in both J and E, we can fit this EPS formula well to the representative energy spectra of various particle phenomena in space, including solar energetic particles(electrons, protons, ~3He and heavier ions), anomalous cosmic rays, solar wind suprathermal particles(halo and superhalo electrons;pick-up ions and the suprathermal tail), etc. Therefore, the EPS fitting can help us self-consistently determine the spectral features of different particle phenomena, and improve our understanding of the physical nature of the origin, acceleration, and transportation of energetic particles in space.
文摘Metal superhydride compounds(MSHCs)have attracted much attention in the fields of high-pressure physics due to the superconductivity properties deriving from the metallic-hydrogen-like characteristics and relatively mild synthesis conditions.However,their energetic performance and related potential applications are still open issues till now.In this study,CaH_(6)and NbH_(3),which exhibit evidently differences in their geometric and electronic structures,were chosen as examples of MSHCs to investigate their energetic performance.The structure,bonding features and energetic performance of CaH_(6)and NbH_(3)were predicted based on first-principles calculations.Our results reveal that high-pressure MSHCs always exhibit high energy densities.The range of theoretical energy density of CaH_(6)was predicted as 2.3-5.3 times of TNT,while the value for NbH_(3)was predicted as 1.2 times of TNT.Our study further uncover that CaH_(6)has outstanding energetic properties,which are ascribed to the three-dimensional(3D)aromatic H sublattice and the strong covalent bonding between the H atoms.Moreover,the detonation process and products of rapid energy-release stage of CaH_(6)were simulated via AIMD method,based on which its superior combustion performance was predicted and its specific impulse was calculated as 490.66 s.This study not only enhances the chemical understanding of MSHCs,but also extends the paradigm of traditional energetic materials and provides a new route to design novel high energy density materials.
基金support for this study by the National Natural Science Foundation of China(Grant No.22275175)。
文摘Herein,a first example of energetic-energetic cocrystal polymorphs with a 1:1 M ratio was discovered by cocrystallizing CL-20(2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane)with 1,3-DNP(1,3-dinitropyrazole).These two energetic cocrystal polymorphs(cocrystal 1 and cocrystal 2)exhibit distinct crystal packing styles,which lead to significant variations in their physicochemical properties.Notably,cocrystal 2 has a high density of 1.963 g·cm^(-3)at 170 K,exhibiting high detonation performances(9187 m·s^(-1);38.68 GPa)comparable to HMX(1,3,5,7-tetranitro-1,3,5,7-tetrazocane)meanwhile displaying an improved safety(10 J)relative to RDX(1,3,5-trinitro-1,3,5-triazinane),making it a potential high-energy,low-sensitivity energetic material.This work opens up a new strategy to deeply tune properties of energetic materials by constructing energetic-energetic cocrystal polymorphs.These energetic cocrystal polymorphs represent a new field of energetic materials that has not yet been studied.
基金supported by the National Natural Science Foundation of China(NFSC No.22122805,U21A20310,22075090,and 22278164)the Science and Technology Program of Guangzhou,China(No.2024A04J1540)。
文摘A strong built-in electric field(V_(bi))is the key to achieving rapid separation of photogenerated carriers in perovskite solar cells.This is particularly important for hole transport layer(HTL)free carbon-based perovskite solar cells(C-PSCs),which have a large interface energy level mismatch.The regulation of perovslite's surface energetics is an effective way to improve the V_(bi)and promote charge extraction,which is typically achieved by organic molecules.However,the insulating nature of organic molecules also negatively hinders charge transfer,resulting in a contradiction of"extraction-transport".Quantum dots(Q.Ds)have great potential for energetics regulation of perovskite film due to their semiconductor properties and inherent large dipole moments,but have not yet been explored.In this work,we propose a strategy of discrete embedding semiconductor QDs at the surface grain boundaries of the perovskite film to regulate surface energetics.The QDs change the energetics of the perovskite film surface,transforming the surface energetics from n-to p-type,thus constructing p-n homojunction at the interface.This significantly enhances the Vbi at the perovskite/carbon electrode interface,promoting hole extraction.In addition,the embedded discrete distribution of QDs at the upper surface grain boundaries ensures efficient transport of the extracted holes to the carbon electrode,overcoming the contradiction of"extraction-transport"for traditional energetics control strategies.Consequently,the fabricated planar HTL-free C-PSCs achieve an efficiency of 20.10%(certified 19.8%),which is one of the highest values reported for this kind of device.
