Aqueous zinc-halogen batteries are promising candidates for large-scale energy storage due to their abundant resources,intrinsic safety,and high theoretical capacity.Nevertheless,the uncontrollable zinc dendrite growt...Aqueous zinc-halogen batteries are promising candidates for large-scale energy storage due to their abundant resources,intrinsic safety,and high theoretical capacity.Nevertheless,the uncontrollable zinc dendrite growth and spontaneous shuttle effect of active species have prohibited their practical implementation.Herein,a double-layered protective film based on zinc-ethylenediamine tetramethylene phosphonic acid(ZEA)artificial film and ZnF2-rich solid electrolyte interphase(SEI)layer has been successfully fabricated on the zinc metal anode via electrode/electrolyte synergistic optimization.The ZEA-based artificial film shows strong affinity for the ZnF2-rich SEI layer,therefore effectively suppressing the SEI breakage and facilitating the construction of double-layered protective film on the zinc metal anode.Such double-layered architecture not only modulates Zn2+flux and suppresses the zinc dendrite growth,but also blocks the direct contact between the metal anode and electrolyte,thus mitigating the corrosion from the active species.When employing optimized metal anodes and electrolytes,the as-developed zinc-(dual)halogen batteries present high areal capacity and satisfactory cycling stability.This work provides a new avenue for developing aqueous zinc-(dual)halogen batteries.展开更多
Energetic compounds bearing the trinitromethyl group are garnering broad attraction as potential candidates for a new generation of high energy dense oxidizers.In this work,an effective dual modulation strategy involv...Energetic compounds bearing the trinitromethyl group are garnering broad attraction as potential candidates for a new generation of high energy dense oxidizers.In this work,an effective dual modulation strategy involving both molecular isomerization and crystal morphology control was employed to design and optimize trinitromethyl-oxadiazole with improved comprehensive performance.Utilizing this dual strategy,3,5-bis(trinitromethyl)-1,2,4-oxadiazole(3)was synthesized,resulting in the formation of two distinct crystal morphologies(needle and sheet)corresponding to two crystal forms(3-a and3-b).Encouragingly,while maintaining ultra-high oxygen balance(21.73%),3 achieves impressive densities(1.97-1.98 g/cm^(3)).To our knowledge,the density of 1.98 g/cm^(3)for 3-a sets a new record among that of nitrogen-rich monocyclic compounds.Notably,practical crystal morphology prediction was creatively introduced to guide the experimental crystallization conditions of 3,increasing the impact sensitivity and friction sensitivity from 1 J to 80 N(3-a)to 10 J and 240 N(3-b),respectively.Additionally,the crystal structural analyses and theoretical calculations were conducted to elucidate the reasons of differences between 3-a and 3-b in density and stability.This work provides an efficient strategy to enhance performance of trinitromethyl derivatives,broadening the path and expanding the toolbox for energetic materials.展开更多
In this paper,C1,1 regularity for solutions to the degenerate dual Orlicz-Minkowski problem is considered.The dual Orlicz-Minkowski problem is a generalization of the Lp dual Minkowski problem in convex geometry.The p...In this paper,C1,1 regularity for solutions to the degenerate dual Orlicz-Minkowski problem is considered.The dual Orlicz-Minkowski problem is a generalization of the Lp dual Minkowski problem in convex geometry.The proof is adapted from Guan-Li[17]and Chen-Tu-Wu-Xiang[11].展开更多
Dual atomic catalysts(DAC),particularly copper(Cu_(2))-based nitrogen(N)doped graphene,show great potential to effectively convert CO_(2)and nitrate(NO_(3)-)into important industrial chemicals such as ethylene,glycol,...Dual atomic catalysts(DAC),particularly copper(Cu_(2))-based nitrogen(N)doped graphene,show great potential to effectively convert CO_(2)and nitrate(NO_(3)-)into important industrial chemicals such as ethylene,glycol,acetamide,and urea through an efficient catalytical process that involves C–C and C–N coupling.However,the origin of the coupling activity remained unclear,which substantially hinders the rational design of Cu-based catalysts for the N-integrated CO_(2)reduction reaction(CO_(2)RR).To address this challenge,this work performed advanced density functional theory calculations incorporating explicit solvation based on a Cu_(2)-based N-doped carbon(Cu_(2)N_(6)C_(10))catalyst for CO_(2)RR.These calculations are aimed to gain insight into the reaction mechanisms for the synthesis of ethylene,acetamide,and urea via coupling in the interfacial reaction micro-environment.Due to the sluggishness of CO_(2),the formation of a solvation electric layer by anions(F^(-),Cl^(-),Br^(-),and I^(-))and cations(Na+,Mg^(2+),K+,and Ca^(2+))leads to electron transfer towards the Cu surface.This process significantly accelerates the reduction of CO_(2).These results reveal that*CO intermediates play a pivotal role in N-integrated CO_(2)RR.Remarkably,the Cu_(2)-based N-doped carbon catalyst examined in this study has demonstrated the most potential for C–N coupling to date.Our findings reveal that through the process of a condensation reaction between*CO and NH_(2)OH for urea synthesis,*NO_(3)-is reduced to*NH_(3),and*CO_(2)to*CCO at dual Cu atom sites.This dual-site reduction facilitates the synthesis of acetamide through a nucleophilic reaction between NH_(3)and the ketene intermediate.Furthermore,we found that the I-and Mg^(2+)ions,influenced by pH,were highly effective for acetamide and ammonia synthesis,except when F-and Ca^(2+)were present.Furthermore,the mechanisms of C–N bond formation were investigated via ab-initio molecular dynamics simulations,and we found that adjusting the micro-environment can change the dominant side reaction,shifting from hydrogen production in acidic conditions to water reduction in alkaline ones.This study introduces a novel approach using ion-H_(2)O cages to significantly enhance the efficiency of C–N coupling reactions.展开更多
The scarcity,high cost and susceptibility to CO of Platinum severely restrict its application in alkaline hydrogen oxidation reaction(HOR).Hybridizing Pt with other transition metals provides an effective strategy to ...The scarcity,high cost and susceptibility to CO of Platinum severely restrict its application in alkaline hydrogen oxidation reaction(HOR).Hybridizing Pt with other transition metals provides an effective strategy to modulate its catalytic HOR performance,but at the cost of mass activity due to the coverage of modifiers on Pt surface.Herein,we constructed dual junctions'Pt/nitrogen-doped carbon(Pt/NC)andδ-MoC/NC to modify electronic structure of Pt via interfacial electron transfer to acquire Pt-MoC@NC catalyst with electron-deficient Pt nanoparticles,simultaneously endowing it with high mass activity and durability of alkaline HOR.Moreover,the unique structure of Pt-MoC@NC endows Pt with a high COtolerance at 1,000 ppm CO/H_(2),a quality that commercial Pt-C catalyst lacks.The theoretical calculations not only confirm the diffusion of electrons from Pt/NC to Mo C/NC could occur,but also demonstrate the negative shift of Pt d-band center for the optimized binding energies of*H,*OH and CO.展开更多
We consider dual Toeplitz operators on the orthogonal complements of the FockSobolev spaces of all nonnegative real orders.First,for symbols in a certain class containing all bounded functions,we study the problem of ...We consider dual Toeplitz operators on the orthogonal complements of the FockSobolev spaces of all nonnegative real orders.First,for symbols in a certain class containing all bounded functions,we study the problem of when an operator which is finite sums of the dual Toeplitz products is compact or zero.Next,for bounded symbols,we construct a symbol map and exhibit a short exact sequence associated with the C^(*)-algebra generated by all dual Toeplitz operators with bounded symbols.展开更多
Aqueous rechargeable Zn-metal batteries(ARZBs)are considered one of the most promising candidates for grid-scale energy storage.However,their widespread commercial application is largely plagued by three major challen...Aqueous rechargeable Zn-metal batteries(ARZBs)are considered one of the most promising candidates for grid-scale energy storage.However,their widespread commercial application is largely plagued by three major challenges:The uncontrollable Zn dendrites,notorious parasitic side reactions,and sluggish Zn^(2+) ion transfer.To address these issues,we design a sustainable dual crosslinked cellulose hydrogel electrolyte,which has excellent mechanical strength to inhibit dendrite formation,high Zn^(2+) ions binding capacity to suppress side reaction,and abundant porous structure to facilitate Zn^(2+) ions migration.Consequently,the Zn||Zn cell with the hydrogel electrolyte can cycle stably for more than 400 h under a high current density of 10 mA cm^(−2).Moreover,the hydrogel electrolyte also enables the Zn||polyaniline cell to achieve high-rate and long-term cycling performance(>2000 cycles at 2000 mA g^(−1)).Remarkably,the hydrogel electrolyte is easily accessible and biodegradable,making the ARZBs attractive in terms of scalability and sustainability.展开更多
The development of redox bifunctional electrocatalysts with high performance,low cost,and long lifetimes is essential for achieving clean energy goals.This study proposed an atom capture strategy for anchoring dual si...The development of redox bifunctional electrocatalysts with high performance,low cost,and long lifetimes is essential for achieving clean energy goals.This study proposed an atom capture strategy for anchoring dual single atoms(DSAs)in a zinc-zeolitic imidazolate framework(Zn-ZIF),followed by calcination under an N_(2) atmosphere to synthesize ruthenium-platinum DSAs supported on a nitrogendoped carbon substrate(RuPt DSAs-NC).Theoretical calculations showed that the degree of Ru 5dxz-~*O 2p_x orbital hybridization was high when^(*)O was adsorbed at the Ru site,indicating enhanced covalent hybridization of metal sites and oxygen ligands,which benefited the adsorption of intermediate species.The presence of the RuPtN_6 active center optimized the absorption-desorption behavior of intermediates,improving the electrocatalytic performance of the oxygen reduction reaction(ORR)and the oxygen evolution reaction(DER),RuPt DSAs-NC exhibited a 0.87 V high half-wave potential and a 268 mV low overpotential at 10 mA cm^(-2)in an alkaline environment.Furthermore,rechargeable zinc-air batteries(ZABs)achieved a peak power density of 171 MW cm^(-2).The RuPt DSAs-NC demonstrated long-term cycling for up to 500 h with superior round-trip efficiency.This study provided an effective structural design strategy to construct DSAs active sites for enhanced electrocata lytic performance.展开更多
Traditional transgenic detection methods require high test conditions and struggle to be both sensitive and efficient.In this study,a one-tube dual recombinase polymerase amplification(RPA)reaction system for CP4-EPSP...Traditional transgenic detection methods require high test conditions and struggle to be both sensitive and efficient.In this study,a one-tube dual recombinase polymerase amplification(RPA)reaction system for CP4-EPSPS and Cry1Ab/Ac was proposed and combined with a lateral flow immunochromatographic assay,named“Dual-RPA-LFD”,to visualize the dual detection of genetically modified(GM)crops.In which,the herbicide tolerance gene CP4-EPSPS and the insect resistance gene Cry1Ab/Ac were selected as targets taking into account the current status of the most widespread application of insect resistance and herbicide tolerance traits and their stacked traits.Gradient diluted plasmids,transgenic standards,and actual samples were used as templates to conduct sensitivity,specificity,and practicality assays,respectively.The constructed method achieved the visual detection of plasmid at levels as low as 100 copies,demonstrating its high sensitivity.In addition,good applicability to transgenic samples was observed,with no cross-interference between two test lines and no influence from other genes.In conclusion,this strategy achieved the expected purpose of simultaneous detection of the two popular targets in GM crops within 20 min at 37°C in a rapid,equipmentfree field manner,providing a new alternative for rapid screening for transgenic assays in the field.展开更多
Ag-In-Ga-S(AIGS)quantum dots(QDs)have recently attracted great interests due to the outstanding optical properties and eco-friendly components,which are considered as an alternative replacement for toxic Pb-and Cd-bas...Ag-In-Ga-S(AIGS)quantum dots(QDs)have recently attracted great interests due to the outstanding optical properties and eco-friendly components,which are considered as an alternative replacement for toxic Pb-and Cd-based QDs.However,enormous attention has been paid to how to narrow their broadband spectra,ignoring the application advantages of the broadband emission.In this work,the AIGS QDs with controllable broad green-red dual-emission are first reported,which is achieved through adjusting the size distribution of QDs by controlling the nucleation and growth of AIGS crystals.Resultantly,the AIGS QDs exhibit broad dual-emission at green-and red-band evidenced by photoluminescence(PL)spectra,and the PL relative intensity and peak position can be finely adjusted.Furthermore,the dual-emission is the intrinsic characteristics from the difference in confinement effect of large particles and tiny particles confirmed by temperature-dependent PL spectra.Accordingly,the AIGS QDs(the size consists of 17 nm and 3.7 nm)with 530 nm and 630 nm emission could successfully be synthesized at 220°C.By combining the blue light-emitting diode(LED)chips and dual-emission AIGS QDs,the constructed white light-emitting devices(WLEDs)exhibit a continuous and broad spectrum like natural sunlight with the Commission Internationale de l’Eclairage(CIE)chromaticity coordinates of(0.33,0.31),a correlated color temperature(CCT)of 5425 K,color rendering index(CRI)of 90,and luminous efficacy of radiation(LER)of 129 lm/W,which indicates that the AIGS QDs have huge potential for lighting applications.展开更多
Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from ...Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from severely detrimental structural transformation that causes rapid capacity attenuation.Herein,site-specific dual-doping with Fe and Mg ions is proposed to enhance the structural stability of LiNi0.9Mn0.1O2.The Fe3+dopants are inserted into transition metal sites(3b)and can favorably provide additional redox potential to compensate for charge and enhance the reversibility of anionic redox.The Mg ions are doped into the Li sites(3a)and serve as O_(2)^(-)-Mg^(2+)-O_(2)^(-)pillar to reinforce the electrostatic cohesion between the two adjacent transition-metal layers,which further suppress the cracking and the generation of harmful phase transitions,ultimately improving the cyclability.The theoretical calculations,including Bader charge and crystal orbital Hamilton populations(COHP)analyses,confirm that the doped Fe and Mg can form stable bonds with oxygen and the electrostatic repulsion of O_(2)^(-)-O_(2)^(-)can be effectively suppressed,which effectively mitigates oxygen anion loss at the high delithiation state.This dual-site doping strategy offers new avenues for understanding and regulating the crystalline oxygen redox and demonstrates significant potential for designing high-performance cobalt-free nickel-rich cathodes.展开更多
Unmanned Aerial Vehicle(UAV)ad hoc network has achieved significant growth for its flexibility,extensibility,and high deployability in recent years.The application of clustering scheme for UAV ad hoc network is impera...Unmanned Aerial Vehicle(UAV)ad hoc network has achieved significant growth for its flexibility,extensibility,and high deployability in recent years.The application of clustering scheme for UAV ad hoc network is imperative to enhance the performance of throughput and energy efficiency.In conventional clustering scheme,a single cluster head(CH)is always assigned in each cluster.However,this method has some weaknesses such as overload and premature death of CH when the number of UAVs increased.In order to solve this problem,we propose a dual-cluster-head based medium access control(DCHMAC)scheme for large-scale UAV networks.In DCHMAC,two CHs are elected to manage resource allocation and data forwarding cooperatively.Specifically,two CHs work on different channels.One of CH is used for intra-cluster communication and the other one is for inter-cluster communication.A Markov chain model is developed to analyse the throughput of the network.Simulation result shows that compared with FM-MAC(flying ad hoc networks multi-channel MAC,FM-MAC),DCHMAC improves the throughput by approximately 20%~50%and prolongs the network lifetime by approximately 40%.展开更多
Dual ion storage hybrid supercapacitors(HsCs)are considered as a promising device to overcome the limited energy density of existing supercapacitors while preserving high power and long cyclability.However,the develop...Dual ion storage hybrid supercapacitors(HsCs)are considered as a promising device to overcome the limited energy density of existing supercapacitors while preserving high power and long cyclability.However,the development of high-capacity anion-storing materials,which can be paired with fast charg-ing capacitive electrodes,lags behind cation-storing counterparts.Herein,we demonstrate the surface faradaic OH-storage mechanism of anion storing perovskite oxide composites and their application in high-performance dual ion HsCs.The oxygen vacancy and nanoparticle size of the reduced LaMnO_(3)(r-LaMnO_(3))were controlled,while r-LaMnO_(3) was chemically coupled with ozonated carbon nanotubes(oCNTs)for the improved anion storing capacity and cycle performance.As taken by in-situ and ex-situ spectroscopic and computational analyses,OH-ions are inserted into the oxygen vacancies coordi-nating with octahedral Mn with the increase in the oxidation state of Mn during the charging process or vice versa.Configuring OH-storing r-LaMnO_(3)/oCNT composite with Na*storing MXene,the as-fabricated aqueous dual ion HSCs achieved the cycle performance of 73.3%over 10,000 cycles,delivering the max-imum energy and power densities of 47.5 w h kg^(-1) and 8 kw kg^(-1),respectively,far exceeding those of previously reported aqueous anion and dual ion storage cells.This research establishes a foundation for the unique anion storage mechanism of the defect engineered perovskite oxides and the advancement of dual ion hybrid energy storage devices with high energy and power densities.展开更多
The dual cylindrical inductively coupled plasma source,compared to the conventional structure of inductively coupled plasma source,can significantly improve the uniformity of plasma.It has an enhanced potential for ap...The dual cylindrical inductively coupled plasma source,compared to the conventional structure of inductively coupled plasma source,can significantly improve the uniformity of plasma.It has an enhanced potential for application in processes,such as etching and ashing.A uniform plasma can be obtained by allowing the remote plasma from the upper chamber modulate the main plasma generated in the lower chamber.In this study,a fluid model was employed to investigate a dual cylindrical inductively coupled Ar/O_(2)discharge.The effects of external parameters on electron density,electron temperature,O atomic density,and plasma uniformity in the main chamber were studied,and the reasons were analyzed.The results of this study show that remote power can control the plasma uniformity and increase the plasma density in the main chamber.As the remote power increased,plasma uniformity improved initially and then deteriorated.The main power affected the plasma density at the edge of the main chamber and can modulate the plasma density in the main chamber.The gas pressure affected both the uniformity and density of the plasma.As the gas pressure increased,the plasma uniformity deteriorated,but the free radical density improved.展开更多
An in-depth mechanism in zonal activation of CO_(2)and H2molecular over dual-active sites has not been revealed yet.Here,Ni-Co-MgO was rationally constructed to elucidate the CO_(2)methanation mechanism.The abundant s...An in-depth mechanism in zonal activation of CO_(2)and H2molecular over dual-active sites has not been revealed yet.Here,Ni-Co-MgO was rationally constructed to elucidate the CO_(2)methanation mechanism.The abundant surface nickel and cobalt components as active sites led to strong Ni-Co interaction with charge transfer from nickel to cobalt.Notably,electron-enriched Coδ-species participated in efficient chemisorption and activation of CO_(2)to generate monodentate carbonate.Simultaneously,plentiful available Ni0sites facilitated H2dissociation,thus CO_(2)and H2were smoothly activated at zones of Coδ-species and Ni0,respectively.Detailed in situ DRIFTS,quasi situ XPS,TPSR,and DFT calculations substantiated a new formate evolution mechanism via monodentate carbonate instead of traditional bidentate carbonate based on synergistic catalysis of Coδ-species and Ni0.The zonal activation of CO_(2)and H2by tuning electron behaviors of double-center catalysts can boost heterogeneous catalytic hydrogenation performance.展开更多
In this paper,a control scheme based on current optimization is proposed for dual three-phase permanent-magnet synchronous motor(DTP-PMSM)drive to reduce the low-frequency temperature swing.The reduction of temperatur...In this paper,a control scheme based on current optimization is proposed for dual three-phase permanent-magnet synchronous motor(DTP-PMSM)drive to reduce the low-frequency temperature swing.The reduction of temperature swing can be equivalent to reducing maximum instantaneous phase copper loss in this paper.First,a two-level optimization aiming at minimizing maximum instantaneous phase copper loss at each electrical angle is proposed.Then,the optimization is transformed to a singlelevel optimization by introducing the auxiliary variable for easy solving.Considering that singleobjective optimization trades a great total copper loss for a small reduction of maximum phase copper loss,the optimization considering both instantaneous total copper loss and maximum phase copper loss is proposed,which has the same performance of temperature swing reduction but with lower total loss.In this way,the proposed control scheme can reduce maximum junction temperature by 11%.Both simulation and experimental results are presented to prove the effectiveness and superiority of the proposed control scheme for low-frequency temperature swing reduction.展开更多
Energy storage systems(ESSs)operate as independent market participants and collaborate with photovoltaic(PV)generation units to enhance the flexible power supply capabilities of PV units.However,the dynamic variations...Energy storage systems(ESSs)operate as independent market participants and collaborate with photovoltaic(PV)generation units to enhance the flexible power supply capabilities of PV units.However,the dynamic variations in the profitability of ESSs in the electricity market are yet to be fully understood.This study introduces a dual-timescale dynamics model that integrates a spot market clearing(SMC)model into a system dynamics(SD)model to investigate the profit-aware capacity growth of ESSs and compares the profitability of independent energy storage systems(IESSs)with that of an ESS integrated within a PV(PV-ESS).Furthermore,this study aims to ascertain the optimal allocation of the PV-ESS.First,SD and SMC models were set up.Second,the SMC model simulated on an hourly timescale was incorporated into the SD model as a subsystem,a dual-timescale model was constructed.Finally,a development simulation and profitability analysis was conducted from 2022 to 2040 to reveal the dynamic optimal range of PV-ESS allocation.Additionally,negative electricity prices were considered during clearing processes.The simulation results revealed differences in profitability and capacity growth between IESS and PV-ESS,helping grid investors and policymakers to determine the boundaries of ESSs and dynamic optimal allocation of PV-ESSs.展开更多
China has pledged to the world to achieve carbon peak in 10 years and carbon neutrality in 30 years.This is an extremely arduous task,as it faces numerous challenges,including high energy consumption,heavy reliance on...China has pledged to the world to achieve carbon peak in 10 years and carbon neutrality in 30 years.This is an extremely arduous task,as it faces numerous challenges,including high energy consumption,heavy reliance on coal within its energy mix,and a large base of carbon emissions that must be controlled.To this end,it is necessary to advance the new energy security strategy of“Four Revolutions,One Cooperation”to a deeper level.According to interpretations from various parties,the new energy system is preliminarily summarized to have six features:new energy structure,new system form,new industrial system,new governance system,new system and mechanism,and new regulatory method.Considering building a new energy system comprehensively,“Ten Commitments”have been proposed to help achieve the dual-carbon goals.The specific measures include:ensuring the security and stability of energy supply,accelerating the transformation to green and low-carbon energy,giving priority to energy conservation and efficiency improvement,promoting multi-energy complementation and synergistic and integrated development,enhancing the digital intelligence level in the energy industry,developing centralized and distributed energy,advancing the rural energy revolution,developing critical and core technological equipment and the comprehensive energy service industry,and promoting high-quality development of the Belt and Road Initiative.展开更多
Dual-atom catalysts(DACs)have emerged as potential catalysts for effective electroreduction of CO_(2)due to their high atom utilization efficiency and multiple active sites.However,the screening of DACs remains a chal...Dual-atom catalysts(DACs)have emerged as potential catalysts for effective electroreduction of CO_(2)due to their high atom utilization efficiency and multiple active sites.However,the screening of DACs remains a challenge due to the large number of possible combinations,making exhaustive experimental or computational screening a daunting task.In this study,a density functional theory(DFT)-based machine learning(ML)-accelerated(DFT-ML)hybrid approach was developed to test a set of 406 dual transition metal catalysts on N-doped graphene(NG)for the electroreduction of CO_(2)to HCOOH.The results showed that the ML algorithms can successfully capture the relationship between the descriptors of the DACs(inputs)and the limiting potential for HCOOH generation(output).Of the four ML algorithms studied in this work,the feedforward neural network model achieved the highest prediction accuracy(the highest correlation coefficient(R^(2))of 0.960 and the lowest root mean square error(RMSE)of 0.319 eV on the test set)and the predicted results were verified by DFT calculations with an average absolute error of 0.14 eV.The DFT-ML approach identified Co-Co-NG and Ir-Fe-NG as the most active and stable electrocatalysts for the electrochemical reduction of CO_(2)to HCOOH.The DFT-ML hybrid approach exhibits exceptional prediction accuracy while enabling a significant reduction in screening time by an impressive 64%compared to conventional DFT-only calculations.These results demonstrate the immense potential of using ML methods to accelerate the screening and rational design of efficient catalysts for various energy and environmental applications.展开更多
基金support from the National Natural Science Foundation of China(22209089,22178187)Natural Science Foundation of Shandong Province(ZR2022QB048,ZR2021MB006)+2 种基金Excellent Youth Science Foundation of Shandong Province(Overseas)(2023HWYQ-089)the Taishan Scholars Program of Shandong Province(tsqn201909091)Open Research Fund of School of Chemistry and Chemical Engineering,Henan Normal University.
文摘Aqueous zinc-halogen batteries are promising candidates for large-scale energy storage due to their abundant resources,intrinsic safety,and high theoretical capacity.Nevertheless,the uncontrollable zinc dendrite growth and spontaneous shuttle effect of active species have prohibited their practical implementation.Herein,a double-layered protective film based on zinc-ethylenediamine tetramethylene phosphonic acid(ZEA)artificial film and ZnF2-rich solid electrolyte interphase(SEI)layer has been successfully fabricated on the zinc metal anode via electrode/electrolyte synergistic optimization.The ZEA-based artificial film shows strong affinity for the ZnF2-rich SEI layer,therefore effectively suppressing the SEI breakage and facilitating the construction of double-layered protective film on the zinc metal anode.Such double-layered architecture not only modulates Zn2+flux and suppresses the zinc dendrite growth,but also blocks the direct contact between the metal anode and electrolyte,thus mitigating the corrosion from the active species.When employing optimized metal anodes and electrolytes,the as-developed zinc-(dual)halogen batteries present high areal capacity and satisfactory cycling stability.This work provides a new avenue for developing aqueous zinc-(dual)halogen batteries.
基金supported by the National Natural Science Foundation of China(No.22375021,22235003,22261132516&22205021)the BIT Research and Innovation 265 Promoting Project(Grant No.2023YCXZ017)。
文摘Energetic compounds bearing the trinitromethyl group are garnering broad attraction as potential candidates for a new generation of high energy dense oxidizers.In this work,an effective dual modulation strategy involving both molecular isomerization and crystal morphology control was employed to design and optimize trinitromethyl-oxadiazole with improved comprehensive performance.Utilizing this dual strategy,3,5-bis(trinitromethyl)-1,2,4-oxadiazole(3)was synthesized,resulting in the formation of two distinct crystal morphologies(needle and sheet)corresponding to two crystal forms(3-a and3-b).Encouragingly,while maintaining ultra-high oxygen balance(21.73%),3 achieves impressive densities(1.97-1.98 g/cm^(3)).To our knowledge,the density of 1.98 g/cm^(3)for 3-a sets a new record among that of nitrogen-rich monocyclic compounds.Notably,practical crystal morphology prediction was creatively introduced to guide the experimental crystallization conditions of 3,increasing the impact sensitivity and friction sensitivity from 1 J to 80 N(3-a)to 10 J and 240 N(3-b),respectively.Additionally,the crystal structural analyses and theoretical calculations were conducted to elucidate the reasons of differences between 3-a and 3-b in density and stability.This work provides an efficient strategy to enhance performance of trinitromethyl derivatives,broadening the path and expanding the toolbox for energetic materials.
文摘In this paper,C1,1 regularity for solutions to the degenerate dual Orlicz-Minkowski problem is considered.The dual Orlicz-Minkowski problem is a generalization of the Lp dual Minkowski problem in convex geometry.The proof is adapted from Guan-Li[17]and Chen-Tu-Wu-Xiang[11].
基金National Natural Science Foundation of China(U22B20149,22308376)Outstanding Young Scholars Foundation of China University of Petroleum(Beijing)(2462023BJRC015)Foundation of United Institute for Carbon Neutrality(CNIF20230209)。
文摘Dual atomic catalysts(DAC),particularly copper(Cu_(2))-based nitrogen(N)doped graphene,show great potential to effectively convert CO_(2)and nitrate(NO_(3)-)into important industrial chemicals such as ethylene,glycol,acetamide,and urea through an efficient catalytical process that involves C–C and C–N coupling.However,the origin of the coupling activity remained unclear,which substantially hinders the rational design of Cu-based catalysts for the N-integrated CO_(2)reduction reaction(CO_(2)RR).To address this challenge,this work performed advanced density functional theory calculations incorporating explicit solvation based on a Cu_(2)-based N-doped carbon(Cu_(2)N_(6)C_(10))catalyst for CO_(2)RR.These calculations are aimed to gain insight into the reaction mechanisms for the synthesis of ethylene,acetamide,and urea via coupling in the interfacial reaction micro-environment.Due to the sluggishness of CO_(2),the formation of a solvation electric layer by anions(F^(-),Cl^(-),Br^(-),and I^(-))and cations(Na+,Mg^(2+),K+,and Ca^(2+))leads to electron transfer towards the Cu surface.This process significantly accelerates the reduction of CO_(2).These results reveal that*CO intermediates play a pivotal role in N-integrated CO_(2)RR.Remarkably,the Cu_(2)-based N-doped carbon catalyst examined in this study has demonstrated the most potential for C–N coupling to date.Our findings reveal that through the process of a condensation reaction between*CO and NH_(2)OH for urea synthesis,*NO_(3)-is reduced to*NH_(3),and*CO_(2)to*CCO at dual Cu atom sites.This dual-site reduction facilitates the synthesis of acetamide through a nucleophilic reaction between NH_(3)and the ketene intermediate.Furthermore,we found that the I-and Mg^(2+)ions,influenced by pH,were highly effective for acetamide and ammonia synthesis,except when F-and Ca^(2+)were present.Furthermore,the mechanisms of C–N bond formation were investigated via ab-initio molecular dynamics simulations,and we found that adjusting the micro-environment can change the dominant side reaction,shifting from hydrogen production in acidic conditions to water reduction in alkaline ones.This study introduces a novel approach using ion-H_(2)O cages to significantly enhance the efficiency of C–N coupling reactions.
基金supported by the National Natural Science Foundation of China (Grant Nos.52072272,52171145 and 22109120)the Zhejiang Provincial Natural Science Foundation of China (LQ21B030002)+1 种基金the Zhejiang Provincial Special Support Program for High-level Talents (2019R52042)the Key programs for Science and Technology Innovation of Wenzhou (ZG2022037)。
文摘The scarcity,high cost and susceptibility to CO of Platinum severely restrict its application in alkaline hydrogen oxidation reaction(HOR).Hybridizing Pt with other transition metals provides an effective strategy to modulate its catalytic HOR performance,but at the cost of mass activity due to the coverage of modifiers on Pt surface.Herein,we constructed dual junctions'Pt/nitrogen-doped carbon(Pt/NC)andδ-MoC/NC to modify electronic structure of Pt via interfacial electron transfer to acquire Pt-MoC@NC catalyst with electron-deficient Pt nanoparticles,simultaneously endowing it with high mass activity and durability of alkaline HOR.Moreover,the unique structure of Pt-MoC@NC endows Pt with a high COtolerance at 1,000 ppm CO/H_(2),a quality that commercial Pt-C catalyst lacks.The theoretical calculations not only confirm the diffusion of electrons from Pt/NC to Mo C/NC could occur,but also demonstrate the negative shift of Pt d-band center for the optimized binding energies of*H,*OH and CO.
基金supported by the NSFC(12271134,11771401)supported by the Basic Science Research Program through the National Research Foundation of Korea(NRF)funded by the Ministry of Education(NRF-2019R1I1A3A01041943)。
文摘We consider dual Toeplitz operators on the orthogonal complements of the FockSobolev spaces of all nonnegative real orders.First,for symbols in a certain class containing all bounded functions,we study the problem of when an operator which is finite sums of the dual Toeplitz products is compact or zero.Next,for bounded symbols,we construct a symbol map and exhibit a short exact sequence associated with the C^(*)-algebra generated by all dual Toeplitz operators with bounded symbols.
基金This work was financially supported by the National Natural Science Foundation of China(52173106 and 22375154).
文摘Aqueous rechargeable Zn-metal batteries(ARZBs)are considered one of the most promising candidates for grid-scale energy storage.However,their widespread commercial application is largely plagued by three major challenges:The uncontrollable Zn dendrites,notorious parasitic side reactions,and sluggish Zn^(2+) ion transfer.To address these issues,we design a sustainable dual crosslinked cellulose hydrogel electrolyte,which has excellent mechanical strength to inhibit dendrite formation,high Zn^(2+) ions binding capacity to suppress side reaction,and abundant porous structure to facilitate Zn^(2+) ions migration.Consequently,the Zn||Zn cell with the hydrogel electrolyte can cycle stably for more than 400 h under a high current density of 10 mA cm^(−2).Moreover,the hydrogel electrolyte also enables the Zn||polyaniline cell to achieve high-rate and long-term cycling performance(>2000 cycles at 2000 mA g^(−1)).Remarkably,the hydrogel electrolyte is easily accessible and biodegradable,making the ARZBs attractive in terms of scalability and sustainability.
基金supported by the National Natural Science Foundation of China (No.22309023,22179014)the project of Natural Science Foundation of Chongqing (Grant No.CSTB2022NSCQMSX0270)+3 种基金the China Postdoctoral Science Foundation (No.2022M720593)the youth project of science and technology research program of Chongqing Municipal Education Commission of China (Grant No.KJQN202201127)the Scientific Research Foundation of Chongqing University of Technology (2022ZDZ011,2022PYZ026)the special funding for research projects of Chongqing Human Resources and Social Security Bureau (Grant No.2022CQBSHTB1023)。
文摘The development of redox bifunctional electrocatalysts with high performance,low cost,and long lifetimes is essential for achieving clean energy goals.This study proposed an atom capture strategy for anchoring dual single atoms(DSAs)in a zinc-zeolitic imidazolate framework(Zn-ZIF),followed by calcination under an N_(2) atmosphere to synthesize ruthenium-platinum DSAs supported on a nitrogendoped carbon substrate(RuPt DSAs-NC).Theoretical calculations showed that the degree of Ru 5dxz-~*O 2p_x orbital hybridization was high when^(*)O was adsorbed at the Ru site,indicating enhanced covalent hybridization of metal sites and oxygen ligands,which benefited the adsorption of intermediate species.The presence of the RuPtN_6 active center optimized the absorption-desorption behavior of intermediates,improving the electrocatalytic performance of the oxygen reduction reaction(ORR)and the oxygen evolution reaction(DER),RuPt DSAs-NC exhibited a 0.87 V high half-wave potential and a 268 mV low overpotential at 10 mA cm^(-2)in an alkaline environment.Furthermore,rechargeable zinc-air batteries(ZABs)achieved a peak power density of 171 MW cm^(-2).The RuPt DSAs-NC demonstrated long-term cycling for up to 500 h with superior round-trip efficiency.This study provided an effective structural design strategy to construct DSAs active sites for enhanced electrocata lytic performance.
基金supported by the Scientific and Innovative Action Plan of Shanghai(21N31900800)Shanghai Rising-Star Program(23QB1403500)+4 种基金the Shanghai Sailing Program(20YF1443000)Shanghai Science and Technology Commission,the Belt and Road Project(20310750500)Talent Project of SAAS(2023-2025)Runup Plan of SAAS(ZP22211)the SAAS Program for Excellent Research Team(2022(B-16))。
文摘Traditional transgenic detection methods require high test conditions and struggle to be both sensitive and efficient.In this study,a one-tube dual recombinase polymerase amplification(RPA)reaction system for CP4-EPSPS and Cry1Ab/Ac was proposed and combined with a lateral flow immunochromatographic assay,named“Dual-RPA-LFD”,to visualize the dual detection of genetically modified(GM)crops.In which,the herbicide tolerance gene CP4-EPSPS and the insect resistance gene Cry1Ab/Ac were selected as targets taking into account the current status of the most widespread application of insect resistance and herbicide tolerance traits and their stacked traits.Gradient diluted plasmids,transgenic standards,and actual samples were used as templates to conduct sensitivity,specificity,and practicality assays,respectively.The constructed method achieved the visual detection of plasmid at levels as low as 100 copies,demonstrating its high sensitivity.In addition,good applicability to transgenic samples was observed,with no cross-interference between two test lines and no influence from other genes.In conclusion,this strategy achieved the expected purpose of simultaneous detection of the two popular targets in GM crops within 20 min at 37°C in a rapid,equipmentfree field manner,providing a new alternative for rapid screening for transgenic assays in the field.
基金supported by National Natural Science Foundation of China(Grant Nos.52272166,22205214,and 12204427).
文摘Ag-In-Ga-S(AIGS)quantum dots(QDs)have recently attracted great interests due to the outstanding optical properties and eco-friendly components,which are considered as an alternative replacement for toxic Pb-and Cd-based QDs.However,enormous attention has been paid to how to narrow their broadband spectra,ignoring the application advantages of the broadband emission.In this work,the AIGS QDs with controllable broad green-red dual-emission are first reported,which is achieved through adjusting the size distribution of QDs by controlling the nucleation and growth of AIGS crystals.Resultantly,the AIGS QDs exhibit broad dual-emission at green-and red-band evidenced by photoluminescence(PL)spectra,and the PL relative intensity and peak position can be finely adjusted.Furthermore,the dual-emission is the intrinsic characteristics from the difference in confinement effect of large particles and tiny particles confirmed by temperature-dependent PL spectra.Accordingly,the AIGS QDs(the size consists of 17 nm and 3.7 nm)with 530 nm and 630 nm emission could successfully be synthesized at 220°C.By combining the blue light-emitting diode(LED)chips and dual-emission AIGS QDs,the constructed white light-emitting devices(WLEDs)exhibit a continuous and broad spectrum like natural sunlight with the Commission Internationale de l’Eclairage(CIE)chromaticity coordinates of(0.33,0.31),a correlated color temperature(CCT)of 5425 K,color rendering index(CRI)of 90,and luminous efficacy of radiation(LER)of 129 lm/W,which indicates that the AIGS QDs have huge potential for lighting applications.
基金the financial supports from the Key Research and Development Project in Shaanxi Province(2023-YBGY-446)the Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering(2022SX-TD003)。
文摘Layer-type LiNi0.9Mn0.1O2is promising to be the primary cathode material for lithium-ion batteries(LIBs)due to its excellent electrochemical performance.Unfortunately,the cathode with high nickel content suffers from severely detrimental structural transformation that causes rapid capacity attenuation.Herein,site-specific dual-doping with Fe and Mg ions is proposed to enhance the structural stability of LiNi0.9Mn0.1O2.The Fe3+dopants are inserted into transition metal sites(3b)and can favorably provide additional redox potential to compensate for charge and enhance the reversibility of anionic redox.The Mg ions are doped into the Li sites(3a)and serve as O_(2)^(-)-Mg^(2+)-O_(2)^(-)pillar to reinforce the electrostatic cohesion between the two adjacent transition-metal layers,which further suppress the cracking and the generation of harmful phase transitions,ultimately improving the cyclability.The theoretical calculations,including Bader charge and crystal orbital Hamilton populations(COHP)analyses,confirm that the doped Fe and Mg can form stable bonds with oxygen and the electrostatic repulsion of O_(2)^(-)-O_(2)^(-)can be effectively suppressed,which effectively mitigates oxygen anion loss at the high delithiation state.This dual-site doping strategy offers new avenues for understanding and regulating the crystalline oxygen redox and demonstrates significant potential for designing high-performance cobalt-free nickel-rich cathodes.
基金supported in part by the Beijing Natural Science Foundation under Grant L192031the National Key Research and Development Program under Grant 2020YFA0711303。
文摘Unmanned Aerial Vehicle(UAV)ad hoc network has achieved significant growth for its flexibility,extensibility,and high deployability in recent years.The application of clustering scheme for UAV ad hoc network is imperative to enhance the performance of throughput and energy efficiency.In conventional clustering scheme,a single cluster head(CH)is always assigned in each cluster.However,this method has some weaknesses such as overload and premature death of CH when the number of UAVs increased.In order to solve this problem,we propose a dual-cluster-head based medium access control(DCHMAC)scheme for large-scale UAV networks.In DCHMAC,two CHs are elected to manage resource allocation and data forwarding cooperatively.Specifically,two CHs work on different channels.One of CH is used for intra-cluster communication and the other one is for inter-cluster communication.A Markov chain model is developed to analyse the throughput of the network.Simulation result shows that compared with FM-MAC(flying ad hoc networks multi-channel MAC,FM-MAC),DCHMAC improves the throughput by approximately 20%~50%and prolongs the network lifetime by approximately 40%.
基金supported by the National Research Foundation of Korea grant funded by the Korea government(MSIT)(NRF-2020R1A3B2079803)the computational time provided by KISTI(KSC-2023-CRE-0166).
文摘Dual ion storage hybrid supercapacitors(HsCs)are considered as a promising device to overcome the limited energy density of existing supercapacitors while preserving high power and long cyclability.However,the development of high-capacity anion-storing materials,which can be paired with fast charg-ing capacitive electrodes,lags behind cation-storing counterparts.Herein,we demonstrate the surface faradaic OH-storage mechanism of anion storing perovskite oxide composites and their application in high-performance dual ion HsCs.The oxygen vacancy and nanoparticle size of the reduced LaMnO_(3)(r-LaMnO_(3))were controlled,while r-LaMnO_(3) was chemically coupled with ozonated carbon nanotubes(oCNTs)for the improved anion storing capacity and cycle performance.As taken by in-situ and ex-situ spectroscopic and computational analyses,OH-ions are inserted into the oxygen vacancies coordi-nating with octahedral Mn with the increase in the oxidation state of Mn during the charging process or vice versa.Configuring OH-storing r-LaMnO_(3)/oCNT composite with Na*storing MXene,the as-fabricated aqueous dual ion HSCs achieved the cycle performance of 73.3%over 10,000 cycles,delivering the max-imum energy and power densities of 47.5 w h kg^(-1) and 8 kw kg^(-1),respectively,far exceeding those of previously reported aqueous anion and dual ion storage cells.This research establishes a foundation for the unique anion storage mechanism of the defect engineered perovskite oxides and the advancement of dual ion hybrid energy storage devices with high energy and power densities.
基金financially supported by National Natural Science Foundation of China(Nos.12075049 and 11935005)。
文摘The dual cylindrical inductively coupled plasma source,compared to the conventional structure of inductively coupled plasma source,can significantly improve the uniformity of plasma.It has an enhanced potential for application in processes,such as etching and ashing.A uniform plasma can be obtained by allowing the remote plasma from the upper chamber modulate the main plasma generated in the lower chamber.In this study,a fluid model was employed to investigate a dual cylindrical inductively coupled Ar/O_(2)discharge.The effects of external parameters on electron density,electron temperature,O atomic density,and plasma uniformity in the main chamber were studied,and the reasons were analyzed.The results of this study show that remote power can control the plasma uniformity and increase the plasma density in the main chamber.As the remote power increased,plasma uniformity improved initially and then deteriorated.The main power affected the plasma density at the edge of the main chamber and can modulate the plasma density in the main chamber.The gas pressure affected both the uniformity and density of the plasma.As the gas pressure increased,the plasma uniformity deteriorated,but the free radical density improved.
基金funded by the Science and Technology Project of Southwest United Graduate School of Yunnan Province(No.202302AQ370002)the National Natural Science Foundation of China(No.22206066)。
文摘An in-depth mechanism in zonal activation of CO_(2)and H2molecular over dual-active sites has not been revealed yet.Here,Ni-Co-MgO was rationally constructed to elucidate the CO_(2)methanation mechanism.The abundant surface nickel and cobalt components as active sites led to strong Ni-Co interaction with charge transfer from nickel to cobalt.Notably,electron-enriched Coδ-species participated in efficient chemisorption and activation of CO_(2)to generate monodentate carbonate.Simultaneously,plentiful available Ni0sites facilitated H2dissociation,thus CO_(2)and H2were smoothly activated at zones of Coδ-species and Ni0,respectively.Detailed in situ DRIFTS,quasi situ XPS,TPSR,and DFT calculations substantiated a new formate evolution mechanism via monodentate carbonate instead of traditional bidentate carbonate based on synergistic catalysis of Coδ-species and Ni0.The zonal activation of CO_(2)and H2by tuning electron behaviors of double-center catalysts can boost heterogeneous catalytic hydrogenation performance.
基金supported by the National Natural Science Foundation of China(No.62271109)。
文摘In this paper,a control scheme based on current optimization is proposed for dual three-phase permanent-magnet synchronous motor(DTP-PMSM)drive to reduce the low-frequency temperature swing.The reduction of temperature swing can be equivalent to reducing maximum instantaneous phase copper loss in this paper.First,a two-level optimization aiming at minimizing maximum instantaneous phase copper loss at each electrical angle is proposed.Then,the optimization is transformed to a singlelevel optimization by introducing the auxiliary variable for easy solving.Considering that singleobjective optimization trades a great total copper loss for a small reduction of maximum phase copper loss,the optimization considering both instantaneous total copper loss and maximum phase copper loss is proposed,which has the same performance of temperature swing reduction but with lower total loss.In this way,the proposed control scheme can reduce maximum junction temperature by 11%.Both simulation and experimental results are presented to prove the effectiveness and superiority of the proposed control scheme for low-frequency temperature swing reduction.
基金supported by National Natural Science Foundation of China(U2066209)。
文摘Energy storage systems(ESSs)operate as independent market participants and collaborate with photovoltaic(PV)generation units to enhance the flexible power supply capabilities of PV units.However,the dynamic variations in the profitability of ESSs in the electricity market are yet to be fully understood.This study introduces a dual-timescale dynamics model that integrates a spot market clearing(SMC)model into a system dynamics(SD)model to investigate the profit-aware capacity growth of ESSs and compares the profitability of independent energy storage systems(IESSs)with that of an ESS integrated within a PV(PV-ESS).Furthermore,this study aims to ascertain the optimal allocation of the PV-ESS.First,SD and SMC models were set up.Second,the SMC model simulated on an hourly timescale was incorporated into the SD model as a subsystem,a dual-timescale model was constructed.Finally,a development simulation and profitability analysis was conducted from 2022 to 2040 to reveal the dynamic optimal range of PV-ESS allocation.Additionally,negative electricity prices were considered during clearing processes.The simulation results revealed differences in profitability and capacity growth between IESS and PV-ESS,helping grid investors and policymakers to determine the boundaries of ESSs and dynamic optimal allocation of PV-ESSs.
文摘China has pledged to the world to achieve carbon peak in 10 years and carbon neutrality in 30 years.This is an extremely arduous task,as it faces numerous challenges,including high energy consumption,heavy reliance on coal within its energy mix,and a large base of carbon emissions that must be controlled.To this end,it is necessary to advance the new energy security strategy of“Four Revolutions,One Cooperation”to a deeper level.According to interpretations from various parties,the new energy system is preliminarily summarized to have six features:new energy structure,new system form,new industrial system,new governance system,new system and mechanism,and new regulatory method.Considering building a new energy system comprehensively,“Ten Commitments”have been proposed to help achieve the dual-carbon goals.The specific measures include:ensuring the security and stability of energy supply,accelerating the transformation to green and low-carbon energy,giving priority to energy conservation and efficiency improvement,promoting multi-energy complementation and synergistic and integrated development,enhancing the digital intelligence level in the energy industry,developing centralized and distributed energy,advancing the rural energy revolution,developing critical and core technological equipment and the comprehensive energy service industry,and promoting high-quality development of the Belt and Road Initiative.
基金partially sponsored by the Development and Reform Commission of Ningbo Municipality(Ningbo Municipal Engineering Research Centre for Solid Carbonaceous Wastes Processing and Utilization Technologies)the National Natural Science Foundation Youth Science Fund Project(52203300),the National Natural Science Foundation of China(22308195)+4 种基金the Natural Science Foundation of Shandong Province(ZR2023QB237)Ningbo Science and Technologies Innovation 2025 Major Special Project(2018B10027)The Zhejiang Provincial Department of Science and Technology is acknowledged for sponsorship under its Provincial Key Laboratory Program(2020E10018)Ningbo Bureau of Science and Technology is also thanked for its support to the Key Laboratory of Clean Energy Conversion TechnologiesThe University of Nottingham Ningbo China provides the first author with a full scholarship。
文摘Dual-atom catalysts(DACs)have emerged as potential catalysts for effective electroreduction of CO_(2)due to their high atom utilization efficiency and multiple active sites.However,the screening of DACs remains a challenge due to the large number of possible combinations,making exhaustive experimental or computational screening a daunting task.In this study,a density functional theory(DFT)-based machine learning(ML)-accelerated(DFT-ML)hybrid approach was developed to test a set of 406 dual transition metal catalysts on N-doped graphene(NG)for the electroreduction of CO_(2)to HCOOH.The results showed that the ML algorithms can successfully capture the relationship between the descriptors of the DACs(inputs)and the limiting potential for HCOOH generation(output).Of the four ML algorithms studied in this work,the feedforward neural network model achieved the highest prediction accuracy(the highest correlation coefficient(R^(2))of 0.960 and the lowest root mean square error(RMSE)of 0.319 eV on the test set)and the predicted results were verified by DFT calculations with an average absolute error of 0.14 eV.The DFT-ML approach identified Co-Co-NG and Ir-Fe-NG as the most active and stable electrocatalysts for the electrochemical reduction of CO_(2)to HCOOH.The DFT-ML hybrid approach exhibits exceptional prediction accuracy while enabling a significant reduction in screening time by an impressive 64%compared to conventional DFT-only calculations.These results demonstrate the immense potential of using ML methods to accelerate the screening and rational design of efficient catalysts for various energy and environmental applications.
