Based on the principles of thermodynamics, we elucidate the fundamental reasons behind the hysteresis of spontaneous polarization in ferroelectric materials during heating and cooling processes. By utilizing the effec...Based on the principles of thermodynamics, we elucidate the fundamental reasons behind the hysteresis of spontaneous polarization in ferroelectric materials during heating and cooling processes. By utilizing the effective Hamiltonian method in conjuction with the phase-field model, we have successfully reproduced the thermal hysteresis observed in ferroelectric materials during phase transitions. The computational results regarding the electrocaloric effect from these two different computational scales closely align with experimental measurements. Furthermore, we analyze how the first-order ferroelectric phase transition gradually diminishes with an increasing applied electric field, exhibiting characteristics of second-order-like phase transition. By employing the characteristic parameters of thermal hysteresis, we have established a pathway for calculations across different computational scales, thereby providing theoretical support for further investigations into the properties of ferroelectric materials through concurrent multiscale simulations.展开更多
Solar-driven interfacial evaporation is one of the most attractive approaches to addressing the global freshwater shortage.However,achieving an integrated high evaporation rate,salt harvesting,and multifunctionality i...Solar-driven interfacial evaporation is one of the most attractive approaches to addressing the global freshwater shortage.However,achieving an integrated high evaporation rate,salt harvesting,and multifunctionality in evaporator is still a crucial challenge.Here,a novel composite membrane with biomimetic micronanostructured superhydrophobic surface is designed via ultrafast laser etching technology.Attractively,the double-transition-metal(V_(1/2)Mo_(1/2))_(2)CT_(x)MXene nanomaterials as a photothermal layer,exhibiting the enhanced photothermal conversion performance due to elevated joint densities of states,which enables high populations of photoexcited carrier relaxation and heat release,provides a new insight into the photothermal conversion mechanism for multiple principal element MXene.Hence,the(V_(1/2)Mo_(1/2))_(2)CT_(x)MXene-200 composite membrane can achieve a high evaporation rate of 2.23 kg m^(−2)h^(−1)under one sun,owing to the enhanced“light trap”effect,photothermal conversion,and high-throughput water transfer.Synergetically,the membrane can induce the directed precipitation of salt at the membrane edge,thus enabling salt harvesting for recycling and zero-emission of brine water.Moreover,the composite membrane is endowed with excellent multifunctionality of anti-/de-icing,anti-fouling,and antibacterial,overcoming the disadvantage that versatility is difficult to be compatible.Therefore,the evaporator and the promising strategy hold great potential for the practical application of solar evaporation.展开更多
Two-dimensional transition metal dichalcogenides(2D TMDCs)have received considerable attention in local strain engineering due to their extraordinary mechanical flexibility,electonic structure,and optical properties.T...Two-dimensional transition metal dichalcogenides(2D TMDCs)have received considerable attention in local strain engineering due to their extraordinary mechanical flexibility,electonic structure,and optical properties.The strain-induced out-of-plane deformations in 2D TMDCs lead to diverse excitonic behaviors and versatile modulations in optical properties,paving the way for the development of advanced quantum technologies,flexible optoelectronic materials,and straintronic devices.Research on local strain engineering on 2D TMDCs has been delved into fabrication techniques,electronic state variations,and quantum optical applications.This review begins by summarizing the state-of-the-art methods for introducing local strain into 2D TMDCs,followed by an exploration of the impact of local strain engineering on optical properties.The intriguing phenomena resulting from local strain,such as exciton funnelling and anti-funnelling,are also discussed.We then shift the focus to the application of locally strained 2D TMDCs as quantum emitters,with various strategies outlined for modulating the properties of TMDC-based quantum emitters.Finally,we discuss the remaining questions in this field and provide an outlook on the future of local strain engineering on 2D TMDCs.展开更多
The spectroscopic and transition properties of strontium chloride(SrCl)are investigated based on the theoretical approach of ab initio quantum chemistry.The calculation accuracy is improved by introducing Davidson cor...The spectroscopic and transition properties of strontium chloride(SrCl)are investigated based on the theoretical approach of ab initio quantum chemistry.The calculation accuracy is improved by introducing Davidson correction,core-valence correlation(CV),the scalar relativistic and spin–orbit coupling(SOC)effects.The results show that the spectroscopic constants of X^(2)S^(+)and A^(2)∏states are consistent with the experimental results.The spectroscopic and molecular constants of most highly excited electronic states are reported for the first time.The permanent dipole moment(PDMs)and the spin–orbit(SO)matrix element have a sudden change for the avoidance of crossing.The potential energy curves(PECs)of the 14 L–S states split into 30Ωstates.The splitting energy of A^(2)∏is 290.76 cm^(-1),which has a little difference from the experimental value 295.597 cm^(-1).Finally,the transition properties are given,including transition dipole moment(TDMs),Franck–Canton factor(FCFs)and radiation lifetime.It is found that the calculated radiation lifetime is in the order of 10 ns.The research will provide a theoretical reference for the feasibility of laser cooling of SrCl molecule.The dataset that supported the findings of this study is available in Science Data Bank,with the link https://www.doi.org/10.57760/sciencedb.j00113.00218.展开更多
Kagome materials are known for hosting exotic quantum states,including quantum spin liquids,charge density waves,and unconventional superconductivity.The search for kagome monolayers is driven by their ability to exhi...Kagome materials are known for hosting exotic quantum states,including quantum spin liquids,charge density waves,and unconventional superconductivity.The search for kagome monolayers is driven by their ability to exhibit neat and well-defined kagome bands near the Fermi level,which are more easily realized in the absence of interlayer interactions.However,this absence also destabilizes the monolayer forms of many bulk kagome materials,posing significant challenges to their discovery.In this work,we propose a strategy to address this challenge by utilizing oxygen vacancies in transition metal oxides within a“1+3”design framework.Through high-throughput computational screening of 349 candidate materials,we identified 12 thermodynamically stable kagome monolayers with diverse electronic and magnetic properties.These materials were classified into three categories based on their lattice geometry,symmetry,band gaps,and magnetic configurations.Detailed analysis of three representative monolayers revealed kagome band features near their Fermi levels,with orbital contributions varying between oxygen 2p and transition metal d states.This study demonstrates the feasibility of the“1+3”strategy,offering a promising approach to uncovering low-dimensional kagome materials and advancing the exploration of their quantum phenomena.展开更多
The antiferromagnetic(AFM)semimetal NdSb is well known for the interplay between its exotic magnetism and topological properties.However,its magnetism remains poorly understood.In this study,we thoroughly investigated...The antiferromagnetic(AFM)semimetal NdSb is well known for the interplay between its exotic magnetism and topological properties.However,its magnetism remains poorly understood.In this study,we thoroughly investigated the magnetization of NdSb single crystals with a high magnetic field(H)of up to 30T applied in various directions.We found that the AFM phase is suppressed by a magnetic field of 9.41T when H‖[100]and 11.25T when H‖[110],whereas the suppression field ranges from 9.41 to 10.67T with a hysteresis of 1.26T when H‖[111].The magnetization of H‖[100],which is an easy direction with a typical magnetic transition,was studied in detail.The AFM phase with H‖[100]was suppressed at lower temperatures,disappearing at approximately 6.25 K.The critical exponents β=0.234(3),γ=0.824(6),and δ=4.90(6)were obtained for H‖[100],and aligned with a tricritical mean-field model.Analysis of the critical behavior suggests a fieldinduced tricritical phenomenon for H‖[100].An H-T phase diagram for an NdSb single crystal was constructed for H‖[100],revealing a field-induced first-order transition and a tricritical point(TCP)at T_(tr)=6.25K and H_(tr)=9.41 T.The clarification of the multiple magnetic phases and transitions in NdSb provides crucial insights into the correlation between its magnetism and topology.展开更多
We study the influence of disorder on the Moore–Read state by principal component analysis(PCA),which is one of the ground state candidates for the 5/2 fractional Hall state.By using PCA,the topological features of t...We study the influence of disorder on the Moore–Read state by principal component analysis(PCA),which is one of the ground state candidates for the 5/2 fractional Hall state.By using PCA,the topological features of the ground state wave functions with different disorder strengths can be distilled.As the disorder strength increases,the Moore–Read state will be destroyed.We explore the phase transition by analyzing the overlaps between the random sample wave functions and the topologically distilled state.The cross-point between the amplitudes of the principal component and its counterpart is the phase transition point.Additionally,the origin of the second component comes from the excited states,which is different from the Laughlin state.展开更多
The thermal flux curve of phase-transition fluid(PF)was tested using differential scanning calorimetry,based on which a reaction kinetics model was established to reflect the relationship between phase transition conv...The thermal flux curve of phase-transition fluid(PF)was tested using differential scanning calorimetry,based on which a reaction kinetics model was established to reflect the relationship between phase transition conversion rate,temperature and time.A temperature field model for fractures and rock matrix considering phase transition heat was then constructed,and its reliability was verified using previously established temperature field models.Additionally,the new model was used to study the effects of different injection parameters and phase-transition fracturing performance parameters on the temperature variations in fractures and matrix.The study indicates that,at different positions and times,the cooling effect of the injected cold fluid and the exothermic effect during the phase transition alternately dominate the temperature within the fracture.At the initial stage of fracturing fluid injection,the temperature within the fracture is high,and the phase transition rate is rapid,resulting in a significant impact of exothermic phase transition on the reservoir rock temperature.In the later stage of injection,the fracture temperature decreases,the phase transition exothermic rate slows,and the cooling effect of the fracturing fluid on the reservoir rock intensifies.Phase transition heat significantly affects the temperature of the fracture.Compared to cases where phase transition heat is not considered,when it is taken into account,the temperature within the fracture increases to varying degrees at the end of fluid injection.As the phase transition heat increases from 20 J/g to 60 J/g,the maximum temperature rise in the fracture increases from 2.1℃ to 6.2℃.The phase transition heat and PF volume fraction are positively correlated with fracture temperature changes,while specific heat capacity is negatively correlated with temperature changes.With increasing injection time,the temperature and phase transition rate at the fracture opening gradually decrease,and the location of the maximum phase transition rate and temperature difference gradually shifts from the fracture opening to about 10 m from the opening.展开更多
TaSe_(3)has garnered significant research interests due to its unique quasi-one-dimensional crystal structure,which gives rise to distinctive properties.Using crystal structure search and first-principles calculations...TaSe_(3)has garnered significant research interests due to its unique quasi-one-dimensional crystal structure,which gives rise to distinctive properties.Using crystal structure search and first-principles calculations,we systematically investigated the pressure-induced structural and electronic phase transitions of quasi-one-dimensional TaSe_(3)up to 100 GPa.In addition to the ambient pressure phase(P2_(1)/m-I),we identified three high-pressure phases:P2_(1)/m-II,Pnma,and Pmma.For the P2_(1)/m-I phase,the inclusion of spin-orbit coupling(SOC)results in significant SOC splitting and changes in the band inversion characteristics.Furthermore,band structure calculations for the three high-pressure phases indicate metallic natures,and the electron localization function suggests ionic bonding between Ta and Se atoms.Our electron-phonon coupling calculations reveal a superconducting critical temperature of approximately 6.4 K for the Pmma phase at 100 GPa.This study provides valuable insights into the high-pressure electronic behavior of quasi-one-dimensional TaSe_(3).展开更多
High-pressure studies of two-dimensional materials have revealed numerous novel properties and physical mechanisms behind them.As a typical material of transition metal dichalcogenides(TMDs),ZrSe_(2)exhibits high carr...High-pressure studies of two-dimensional materials have revealed numerous novel properties and physical mechanisms behind them.As a typical material of transition metal dichalcogenides(TMDs),ZrSe_(2)exhibits high carrier mobility,rich electronic states regulated by doping,and high potential in applications at ambient pressure.However,the properties of ZrSe_(2)under pressure are still not clear,especially for the structural and electrical properties.Here,we report the investigation of ZrSe_(2)under pressure up to 66.5 GPa by in-situ x-ray diffraction,Raman,electrical transport measurements,and first-principles calculations.Two structural phase transitions occur in ZrSe_(2)at 8.3 GPa and 31.5 GPa,from P-3m1 symmetry to P2_(1)/m symmetry,and finally transformed into a non-layer I4/mmm symmetry structure.Pressure-induced metallic transition is observed at around 19.4 GPa in phaseⅡwhich aligns well with the results of the calculation.Our work will help to improve the understanding of the evolution of the structure and electrical transport properties of two-dimensional materials.展开更多
Conventional theories expect that materials under pressure exhibit expanded valence and conduction bands,leading to increased electrical conductivity.Here,we report the electrical properties of the doped 1T-TiS_(2) un...Conventional theories expect that materials under pressure exhibit expanded valence and conduction bands,leading to increased electrical conductivity.Here,we report the electrical properties of the doped 1T-TiS_(2) under high pressure by electrical resistance investigations,synchrotron x-ray diffraction,Raman scattering and theoretical calculations.Up to 70 GPa,an unusual metal-semiconductor-metal transition occurs.Our first-principles calculations suggest that the observed anti-Wilson transition from metal to semiconductor at 17 GPa is due to the electron localization induced by the intercalated Ti atoms.This electron localization is attributed to the strengthened coupling between the doped Ti atoms and S atoms,and the Anderson localization arising from the disordered intercalation.At pressures exceeding 30.5 GPa,the doped TiS_(2) undergoes a re-metallization transition initiated by a crystal structure phase transition.We assign the most probable space group as P2_(1)2_(1)2_(1).Our findings suggest that materials probably will eventually undergo the Wilson transition when subjected to sufficient pressure.展开更多
Transition metal phosphides(TMPs)have been regarded as alternative hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)catalysts owing to their comparable activity to those of noble metal-based catalysts...Transition metal phosphides(TMPs)have been regarded as alternative hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)catalysts owing to their comparable activity to those of noble metal-based catalysts.TMPs have been produced in various morphologies,including hollow and porous nanostructures,which are features deemed desirable for electrocatalytic materials.Templated synthesis routes are often responsible for such morphologies.This paper reviews the latest advances and existing challenges in the synthesis of TMP-based OER and HER catalysts through templated methods.A comprehensive review of the structure-property-performance of TMP-based HER and OER catalysts prepared using different templates is presented.The discussion proceeds according to application,first by HER and further divided among the types of templates used-from hard templates,sacrificial templates,and soft templates to the emerging dynamic hydrogen bubble template.OER catalysts are then reviewed and grouped according to their morphology.Finally,prospective research directions for the synthesis of hollow and porous TMP-based catalysts,such as improvements on both activity and stability of TMPs,design of environmentally benign templates and processes,and analysis of the reaction mechanism through advanced material characterization techniques and theoretical calculations,are suggested.展开更多
Following publication of the original article[1],the authors reported that the author Hun-Gi Jung should be affiliated as 3,4 and 5 instead of 4 and 5.The author’s name“A.-Yeon Kim”needed to be updated to“A-Yeon ...Following publication of the original article[1],the authors reported that the author Hun-Gi Jung should be affiliated as 3,4 and 5 instead of 4 and 5.The author’s name“A.-Yeon Kim”needed to be updated to“A-Yeon Kim”,removing the period.The correct author’s name and affiliation have been provided in this Correction.The original article[1]has been corrected.展开更多
Aqueous sodium-ion batteries(ASIBs)and aqueous potassium-ion batteries(APIBs)present significant potential for large-scale energy storage due to their cost-effectiveness,safety,and environmental compatibility.Nonethel...Aqueous sodium-ion batteries(ASIBs)and aqueous potassium-ion batteries(APIBs)present significant potential for large-scale energy storage due to their cost-effectiveness,safety,and environmental compatibility.Nonetheless,the intricate energy storage mechanisms in aqueous electrolytes place stringent require-ments on the host materials.Prussian blue analogs(PBAs),with their open three-dimensional framework and facile synthesis,stand out as leading candidates for aqueous energy storage.However,PBAs possess a swift capacity fade and limited cycle longevity,for their structural integrity is compromised by the pronounced dis-solution of transition metal(TM)ions in the aqueous milieu.This manuscript provides an exhaustive review of the recent advancements concerning PBAs in ASIBs and APIBs.The dissolution mechanisms of TM ions in PBAs,informed by their structural attributes and redox processes,are thoroughly examined.Moreover,this study delves into innovative design tactics to alleviate the dissolution issue of TM ions.In conclusion,the paper consolidates various strategies for suppressing the dissolution of TM ions in PBAs and posits avenues for prospective exploration of high-safety aqueous sodium-/potassium-ion batteries.展开更多
The laminated transition metal disulfides(TMDs),which are well known as typical two-dimensional(2D)semiconductive materials,possess a unique layered structure,leading to their wide-spread applications in various field...The laminated transition metal disulfides(TMDs),which are well known as typical two-dimensional(2D)semiconductive materials,possess a unique layered structure,leading to their wide-spread applications in various fields,such as catalysis,energy storage,sensing,etc.In recent years,a lot of research work on TMDs based functional materials in the fields of electromagnetic wave absorption(EMA)has been carried out.Therefore,it is of great significance to elaborate the influence of TMDs on EMA in time to speed up the application.In this review,recent advances in the development of electromagnetic wave(EMW)absorbers based on TMDs,ranging from the VIB group to the VB group are summarized.Their compositions,microstructures,electronic properties,and synthesis methods are presented in detail.Particularly,the modulation of structure engineering from the aspects of heterostructures,defects,morphologies and phases are systematically summarized,focusing on optimizing impedance matching and increasing dielectric and magnetic losses in the EMA materials with tunable EMW absorption performance.Milestones as well as the challenges are also identified to guide the design of new TMDs based dielectric EMA materials with high performance.展开更多
In recent years,low-dimensional transition metal chalcogenide(TMC)materials have garnered growing research attention due to their superior electronic,optical,and catalytic properties compared to their bulk counterpart...In recent years,low-dimensional transition metal chalcogenide(TMC)materials have garnered growing research attention due to their superior electronic,optical,and catalytic properties compared to their bulk counterparts.The controllable synthesis and manipulation of these materials are crucial for tailoring their properties and unlocking their full potential in various applications.In this context,the atomic substitution method has emerged as a favorable approach.It involves the replacement of specific atoms within TMC structures with other elements and possesses the capability to regulate the compositions finely,crystal structures,and inherent properties of the resulting materials.In this review,we present a comprehensive overview on various strategies of atomic substitution employed in the synthesis of zero-dimensional,one-dimensional and two-dimensional TMC materials.The effects of substituting elements,substitution ratios,and substitution positions on the structures and morphologies of resulting material are discussed.The enhanced electrocatalytic performance and photovoltaic properties of the obtained materials are also provided,emphasizing the role of atomic substitution in achieving these advancements.Finally,challenges and future prospects in the field of atomic substitution for fabricating low-dimensional TMC materials are summarized.展开更多
The electrochemical oxidation of 5-hydroxymethylfurfural(HMF) represents a significant avenue for sustainable chemical synthesis, owing to its potential to generate high-value derivatives from biomass feedstocks. Tran...The electrochemical oxidation of 5-hydroxymethylfurfural(HMF) represents a significant avenue for sustainable chemical synthesis, owing to its potential to generate high-value derivatives from biomass feedstocks. Transition metal catalysts offer a cost-effective alternative to precious metals for catalyzing HMF oxidation, with transition bimetallic catalysts emerging as particularly promising candidates. In this review, we delve into the intricate reaction pathways and electrochemical mechanisms underlying HMF oxidation, emphasizing the pivotal role of transition bimetallic catalysts in enhancing catalytic efficiency. Subsequently, various types of transition bimetallic catalysts are explored, detailing their synthesis methods and structural modulation strategies. By elucidating the mechanisms behind catalyst modification and performance enhancement, this review sets the stage for upcoming advancements in the field, ultimately advancing the electrochemical HMF conversion and facilitating the transition towards sustainable chemical production.展开更多
Supercapacitors(SCs)are considered promising energy storge systems because of their outstanding power density,fast charge and discharge rate and long-term cycling stability.The exploitation of cheap and efficient elec...Supercapacitors(SCs)are considered promising energy storge systems because of their outstanding power density,fast charge and discharge rate and long-term cycling stability.The exploitation of cheap and efficient electrode materials is the key to improve the performance of supercapacitors.As the battery-type materials,transition metal phosphides(TMPs)possess high theoretical specific capacity,good electrical conductivity and superior structural stability,which have been extensively studied to be electrode materials for supercapacitors.In this review,we summarize the up-to-date progress on TMPs materials from diversified synthetic methods,diverse nanostructures and several prominent TMPs and their composites in application of supercapacitors.In the end,we also propose the remaining challenges toward the rational discovery and synthesis of high-performance TMP electrodes materials for energy storage.展开更多
What factors fundamentally determine the value of superconducting transition temperature Tc in high temperature superconductors has been the subject of intense debate.Following the establishment of an empirical law kn...What factors fundamentally determine the value of superconducting transition temperature Tc in high temperature superconductors has been the subject of intense debate.Following the establishment of an empirical law known as Homes'law,there is a growing consensus in the community that the Tc value of the cuprate superconductors is closely linked to the superfluid density(ρ_(s))of its ground state and the conductivity(σ)of its normal state.However,all the data supporting this empirical law(ρ_(s)=AσT_(c))have been obtained from the ambientpressure superconductors.In this study,we present the first high-pressure results about the connection of the quantities of ρ_(s) and σ with T_(c),through the studies on the Bi_(1.74)Pb_(0.38)Sr_(1.88)CuO_(6+δ)and Bi_(2)Sr_(2)CaCu_(2)O_(8+δ),in which the value of their high-pressure resistivity(ρ=1/σ)is achieved by adopting our newly established method,while the quantity ofρs is extracted using Homes'law.We highlight that the Tc values are strongly linked to the joint response factors of magnetic field and electric field,i.e.,ρ_(s) and σ,respectively,implying that the physics determining T_(c) is governed by the intrinsic electromagnetic fields of the system.展开更多
Engineering transition metal compounds(TMCs)catalysts with excellent adsorption-catalytic ability has been one of the most effec-tive strategies to accelerate the redox kinetics of sulfur cathodes.Herein,this review f...Engineering transition metal compounds(TMCs)catalysts with excellent adsorption-catalytic ability has been one of the most effec-tive strategies to accelerate the redox kinetics of sulfur cathodes.Herein,this review focuses on engineering TMCs catalysts by cation doping/anion doping/dual doping,bimetallic/bi-anionic TMCs,and TMCs-based heterostructure composites.It is obvious that introducing cations/anions to TMCs or constructing heterostructure can boost adsorption-catalytic capacity by regulating the electronic structure including energy band,d/p-band center,electron filling,and valence state.Moreover,the elec-tronic structure of doped/dual-ionic TMCs are adjusted by inducing ions with different electronegativity,electron filling,and ion radius,resulting in electron redistribution,bonds reconstruction,induced vacancies due to the electronic interaction and changed crystal structure such as lat-tice spacing and lattice distortion.Different from the aforementioned two strategies,heterostructures are constructed by two types of TMCs with different Fermi energy levels,which causes built-in electric field and electrons transfer through the interface,and induces electron redistribution and arranged local atoms to regulate the electronic structure.Additionally,the lacking studies of the three strategies to comprehensively regulate electronic structure for improving catalytic performance are pointed out.It is believed that this review can guide the design of advanced TMCs catalysts for boosting redox of lithium sulfur batteries.展开更多
基金Project supported financially by the National Natural Science Foundation of China (Grant No. 52372100)the National Key Research and Development Program of China (Grant No. 2019YFA0307900)。
文摘Based on the principles of thermodynamics, we elucidate the fundamental reasons behind the hysteresis of spontaneous polarization in ferroelectric materials during heating and cooling processes. By utilizing the effective Hamiltonian method in conjuction with the phase-field model, we have successfully reproduced the thermal hysteresis observed in ferroelectric materials during phase transitions. The computational results regarding the electrocaloric effect from these two different computational scales closely align with experimental measurements. Furthermore, we analyze how the first-order ferroelectric phase transition gradually diminishes with an increasing applied electric field, exhibiting characteristics of second-order-like phase transition. By employing the characteristic parameters of thermal hysteresis, we have established a pathway for calculations across different computational scales, thereby providing theoretical support for further investigations into the properties of ferroelectric materials through concurrent multiscale simulations.
基金supported by the National Natural Science Foundation of China(No.U2106216,52331004)the Natural Science Foundation of Shandong Province(No.ZR2022ZD12)+5 种基金the Key R&D Program of Shandong Province,China(2023ZLGX05,2023CXGC010406)the Taishan Scholarship of Climbing Plan(No.tspd20230603)the Fundamental Research Funds for the Central Universities(202461105)the China Postdoctoral Science Foundation(2023M732677)Shandong Province Postdoctoral Innovation Project(SDCX-ZG-202303086)Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education(LOEC-202309).
文摘Solar-driven interfacial evaporation is one of the most attractive approaches to addressing the global freshwater shortage.However,achieving an integrated high evaporation rate,salt harvesting,and multifunctionality in evaporator is still a crucial challenge.Here,a novel composite membrane with biomimetic micronanostructured superhydrophobic surface is designed via ultrafast laser etching technology.Attractively,the double-transition-metal(V_(1/2)Mo_(1/2))_(2)CT_(x)MXene nanomaterials as a photothermal layer,exhibiting the enhanced photothermal conversion performance due to elevated joint densities of states,which enables high populations of photoexcited carrier relaxation and heat release,provides a new insight into the photothermal conversion mechanism for multiple principal element MXene.Hence,the(V_(1/2)Mo_(1/2))_(2)CT_(x)MXene-200 composite membrane can achieve a high evaporation rate of 2.23 kg m^(−2)h^(−1)under one sun,owing to the enhanced“light trap”effect,photothermal conversion,and high-throughput water transfer.Synergetically,the membrane can induce the directed precipitation of salt at the membrane edge,thus enabling salt harvesting for recycling and zero-emission of brine water.Moreover,the composite membrane is endowed with excellent multifunctionality of anti-/de-icing,anti-fouling,and antibacterial,overcoming the disadvantage that versatility is difficult to be compatible.Therefore,the evaporator and the promising strategy hold great potential for the practical application of solar evaporation.
基金support from National Natural Science Foundation of China(Grant Nos.62205223)Natural Science Foundation of Guangdong Province(Grant Nos.2023A1515011455)+6 种基金Science and Technology Innovation Commission of Shenzhen(Grant Nos.20231121120748002)support from Guangdong Introducing Innovative and Entrepreneurial Teams(Grant Nos.2019ZT08L101)Natural Science Foundation of Guangdong Province(Grant Nos.2023A1515110091)Science and Technology Innovation Commission of Shenzhen(Grant Nos.JSGGKQTD20221101115701006)support from National Key R&D Program of China(Grant Nos.2021YFA1401100)National Natural Science Foundation of China(Grant Nos.12104317)Scientific Instrument Developing Project of Shenzhen University(Grant Nos.2023YQ003)。
文摘Two-dimensional transition metal dichalcogenides(2D TMDCs)have received considerable attention in local strain engineering due to their extraordinary mechanical flexibility,electonic structure,and optical properties.The strain-induced out-of-plane deformations in 2D TMDCs lead to diverse excitonic behaviors and versatile modulations in optical properties,paving the way for the development of advanced quantum technologies,flexible optoelectronic materials,and straintronic devices.Research on local strain engineering on 2D TMDCs has been delved into fabrication techniques,electronic state variations,and quantum optical applications.This review begins by summarizing the state-of-the-art methods for introducing local strain into 2D TMDCs,followed by an exploration of the impact of local strain engineering on optical properties.The intriguing phenomena resulting from local strain,such as exciton funnelling and anti-funnelling,are also discussed.We then shift the focus to the application of locally strained 2D TMDCs as quantum emitters,with various strategies outlined for modulating the properties of TMDC-based quantum emitters.Finally,we discuss the remaining questions in this field and provide an outlook on the future of local strain engineering on 2D TMDCs.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11564019,11147158,and 12464032)the Department of Education Foundation of Jiangxi Province of China(Grant No.GJJ2401520).
文摘The spectroscopic and transition properties of strontium chloride(SrCl)are investigated based on the theoretical approach of ab initio quantum chemistry.The calculation accuracy is improved by introducing Davidson correction,core-valence correlation(CV),the scalar relativistic and spin–orbit coupling(SOC)effects.The results show that the spectroscopic constants of X^(2)S^(+)and A^(2)∏states are consistent with the experimental results.The spectroscopic and molecular constants of most highly excited electronic states are reported for the first time.The permanent dipole moment(PDMs)and the spin–orbit(SO)matrix element have a sudden change for the avoidance of crossing.The potential energy curves(PECs)of the 14 L–S states split into 30Ωstates.The splitting energy of A^(2)∏is 290.76 cm^(-1),which has a little difference from the experimental value 295.597 cm^(-1).Finally,the transition properties are given,including transition dipole moment(TDMs),Franck–Canton factor(FCFs)and radiation lifetime.It is found that the calculated radiation lifetime is in the order of 10 ns.The research will provide a theoretical reference for the feasibility of laser cooling of SrCl molecule.The dataset that supported the findings of this study is available in Science Data Bank,with the link https://www.doi.org/10.57760/sciencedb.j00113.00218.
基金financial support from the National Key Research&Development Program of China(Grant No.2023YFA1406500)the National Natural Science Foundation of China(Grant Nos.12104504,52461160327 and 92477205)the Fundamental Research Funds for the Central Universities,and the Research Funds of Renmin University of China[Grant Nos.22XNKJ30(W.J.)and 24XNKJ17(C.W.)]。
文摘Kagome materials are known for hosting exotic quantum states,including quantum spin liquids,charge density waves,and unconventional superconductivity.The search for kagome monolayers is driven by their ability to exhibit neat and well-defined kagome bands near the Fermi level,which are more easily realized in the absence of interlayer interactions.However,this absence also destabilizes the monolayer forms of many bulk kagome materials,posing significant challenges to their discovery.In this work,we propose a strategy to address this challenge by utilizing oxygen vacancies in transition metal oxides within a“1+3”design framework.Through high-throughput computational screening of 349 candidate materials,we identified 12 thermodynamically stable kagome monolayers with diverse electronic and magnetic properties.These materials were classified into three categories based on their lattice geometry,symmetry,band gaps,and magnetic configurations.Detailed analysis of three representative monolayers revealed kagome band features near their Fermi levels,with orbital contributions varying between oxygen 2p and transition metal d states.This study demonstrates the feasibility of the“1+3”strategy,offering a promising approach to uncovering low-dimensional kagome materials and advancing the exploration of their quantum phenomena.
基金supported by the National Key R&D Program of China(Grant No.2024YFA1611103)the National Natural Science Foundation of China(Grant Nos.12374128,12374129,12074386,11974181,12204006,and 12250410238)+6 种基金the Fujian Natural Science Foundation Project(Grant No.2024J08082)the Foundation for the Introduction of High-Level Talents and the Scientific Research Launch Project of Sanming University(Grant No.113/KD23016P)Fujian Key Technology Innovation Projects(University Category)(Grant No.2022G02010)the Anhui Provincial Major S&T Project(Grant No.202305a12020005)the Alliance of International Science Organizations(Grant Nos.ANSO-VF-2022-03 and ANSO-VF-2023-03)supported by the Basic Research Program of the Chinese Academy of Sciences Based on Major Scientific Infrastructures(Grant No.JZHKYPT-2021-08)the High Magnetic Field Laboratory of Anhui Province under Contract No.AHHMFX-2020-02。
文摘The antiferromagnetic(AFM)semimetal NdSb is well known for the interplay between its exotic magnetism and topological properties.However,its magnetism remains poorly understood.In this study,we thoroughly investigated the magnetization of NdSb single crystals with a high magnetic field(H)of up to 30T applied in various directions.We found that the AFM phase is suppressed by a magnetic field of 9.41T when H‖[100]and 11.25T when H‖[110],whereas the suppression field ranges from 9.41 to 10.67T with a hysteresis of 1.26T when H‖[111].The magnetization of H‖[100],which is an easy direction with a typical magnetic transition,was studied in detail.The AFM phase with H‖[100]was suppressed at lower temperatures,disappearing at approximately 6.25 K.The critical exponents β=0.234(3),γ=0.824(6),and δ=4.90(6)were obtained for H‖[100],and aligned with a tricritical mean-field model.Analysis of the critical behavior suggests a fieldinduced tricritical phenomenon for H‖[100].An H-T phase diagram for an NdSb single crystal was constructed for H‖[100],revealing a field-induced first-order transition and a tricritical point(TCP)at T_(tr)=6.25K and H_(tr)=9.41 T.The clarification of the multiple magnetic phases and transitions in NdSb provides crucial insights into the correlation between its magnetism and topology.
基金supported by the National Natural Science Foundation of China(Grant Nos.12104075 and 12347101).
文摘We study the influence of disorder on the Moore–Read state by principal component analysis(PCA),which is one of the ground state candidates for the 5/2 fractional Hall state.By using PCA,the topological features of the ground state wave functions with different disorder strengths can be distilled.As the disorder strength increases,the Moore–Read state will be destroyed.We explore the phase transition by analyzing the overlaps between the random sample wave functions and the topologically distilled state.The cross-point between the amplitudes of the principal component and its counterpart is the phase transition point.Additionally,the origin of the second component comes from the excited states,which is different from the Laughlin state.
基金Supported by the China Postdoctoral Science Foundation(2024M752803)the Open Fund of Key Laboratory of Deep Geothermal Resources of Ministry of Natural Resources(KLDGR2024B01)+1 种基金the National Natural Science Foundation of China(52179112)the Open Fund of National Key Laboratory of Oil and Gas Reservoir Geology and Exploitation(Southwest Petroleum University)(PLN2023-02)。
文摘The thermal flux curve of phase-transition fluid(PF)was tested using differential scanning calorimetry,based on which a reaction kinetics model was established to reflect the relationship between phase transition conversion rate,temperature and time.A temperature field model for fractures and rock matrix considering phase transition heat was then constructed,and its reliability was verified using previously established temperature field models.Additionally,the new model was used to study the effects of different injection parameters and phase-transition fracturing performance parameters on the temperature variations in fractures and matrix.The study indicates that,at different positions and times,the cooling effect of the injected cold fluid and the exothermic effect during the phase transition alternately dominate the temperature within the fracture.At the initial stage of fracturing fluid injection,the temperature within the fracture is high,and the phase transition rate is rapid,resulting in a significant impact of exothermic phase transition on the reservoir rock temperature.In the later stage of injection,the fracture temperature decreases,the phase transition exothermic rate slows,and the cooling effect of the fracturing fluid on the reservoir rock intensifies.Phase transition heat significantly affects the temperature of the fracture.Compared to cases where phase transition heat is not considered,when it is taken into account,the temperature within the fracture increases to varying degrees at the end of fluid injection.As the phase transition heat increases from 20 J/g to 60 J/g,the maximum temperature rise in the fracture increases from 2.1℃ to 6.2℃.The phase transition heat and PF volume fraction are positively correlated with fracture temperature changes,while specific heat capacity is negatively correlated with temperature changes.With increasing injection time,the temperature and phase transition rate at the fracture opening gradually decrease,and the location of the maximum phase transition rate and temperature difference gradually shifts from the fracture opening to about 10 m from the opening.
基金supported by the National Natural Science Foundation of China(Grant Nos.12304022 and 52361035)the Fundamental Research Funds for the Central Universities.The calculations were carried out using supercomputers at the School of Physics at Ningxia University.
文摘TaSe_(3)has garnered significant research interests due to its unique quasi-one-dimensional crystal structure,which gives rise to distinctive properties.Using crystal structure search and first-principles calculations,we systematically investigated the pressure-induced structural and electronic phase transitions of quasi-one-dimensional TaSe_(3)up to 100 GPa.In addition to the ambient pressure phase(P2_(1)/m-I),we identified three high-pressure phases:P2_(1)/m-II,Pnma,and Pmma.For the P2_(1)/m-I phase,the inclusion of spin-orbit coupling(SOC)results in significant SOC splitting and changes in the band inversion characteristics.Furthermore,band structure calculations for the three high-pressure phases indicate metallic natures,and the electron localization function suggests ionic bonding between Ta and Se atoms.Our electron-phonon coupling calculations reveal a superconducting critical temperature of approximately 6.4 K for the Pmma phase at 100 GPa.This study provides valuable insights into the high-pressure electronic behavior of quasi-one-dimensional TaSe_(3).
基金Project supported by the National Key R&D Program of China(Grant No.2022YFA1405500)the National Natural Science Foundation of China(Grant Nos.52372257 and 52072188)。
文摘High-pressure studies of two-dimensional materials have revealed numerous novel properties and physical mechanisms behind them.As a typical material of transition metal dichalcogenides(TMDs),ZrSe_(2)exhibits high carrier mobility,rich electronic states regulated by doping,and high potential in applications at ambient pressure.However,the properties of ZrSe_(2)under pressure are still not clear,especially for the structural and electrical properties.Here,we report the investigation of ZrSe_(2)under pressure up to 66.5 GPa by in-situ x-ray diffraction,Raman,electrical transport measurements,and first-principles calculations.Two structural phase transitions occur in ZrSe_(2)at 8.3 GPa and 31.5 GPa,from P-3m1 symmetry to P2_(1)/m symmetry,and finally transformed into a non-layer I4/mmm symmetry structure.Pressure-induced metallic transition is observed at around 19.4 GPa in phaseⅡwhich aligns well with the results of the calculation.Our work will help to improve the understanding of the evolution of the structure and electrical transport properties of two-dimensional materials.
基金supported by the National Natural Science Foundation of China (Grant No. 12304072)Program for Science and Technology Innovation Team in Zhejiang (Grant No. 2021R01004)+1 种基金Natural Science Foundation of Ningbo(Grant No. 2021J121)supported by the User Experiment Assist System of Shanghai Synchrotron Radiation Facility (SSRF)。
文摘Conventional theories expect that materials under pressure exhibit expanded valence and conduction bands,leading to increased electrical conductivity.Here,we report the electrical properties of the doped 1T-TiS_(2) under high pressure by electrical resistance investigations,synchrotron x-ray diffraction,Raman scattering and theoretical calculations.Up to 70 GPa,an unusual metal-semiconductor-metal transition occurs.Our first-principles calculations suggest that the observed anti-Wilson transition from metal to semiconductor at 17 GPa is due to the electron localization induced by the intercalated Ti atoms.This electron localization is attributed to the strengthened coupling between the doped Ti atoms and S atoms,and the Anderson localization arising from the disordered intercalation.At pressures exceeding 30.5 GPa,the doped TiS_(2) undergoes a re-metallization transition initiated by a crystal structure phase transition.We assign the most probable space group as P2_(1)2_(1)2_(1).Our findings suggest that materials probably will eventually undergo the Wilson transition when subjected to sufficient pressure.
基金the support from the CIPHER Project(IIID 2018-008)funded by the Commission on Higher Education-Philippine California Advanced Research Institutes(CHED-PCARI)。
文摘Transition metal phosphides(TMPs)have been regarded as alternative hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)catalysts owing to their comparable activity to those of noble metal-based catalysts.TMPs have been produced in various morphologies,including hollow and porous nanostructures,which are features deemed desirable for electrocatalytic materials.Templated synthesis routes are often responsible for such morphologies.This paper reviews the latest advances and existing challenges in the synthesis of TMP-based OER and HER catalysts through templated methods.A comprehensive review of the structure-property-performance of TMP-based HER and OER catalysts prepared using different templates is presented.The discussion proceeds according to application,first by HER and further divided among the types of templates used-from hard templates,sacrificial templates,and soft templates to the emerging dynamic hydrogen bubble template.OER catalysts are then reviewed and grouped according to their morphology.Finally,prospective research directions for the synthesis of hollow and porous TMP-based catalysts,such as improvements on both activity and stability of TMPs,design of environmentally benign templates and processes,and analysis of the reaction mechanism through advanced material characterization techniques and theoretical calculations,are suggested.
文摘Following publication of the original article[1],the authors reported that the author Hun-Gi Jung should be affiliated as 3,4 and 5 instead of 4 and 5.The author’s name“A.-Yeon Kim”needed to be updated to“A-Yeon Kim”,removing the period.The correct author’s name and affiliation have been provided in this Correction.The original article[1]has been corrected.
基金This work was supported by the National Natural Science Foundation of China(52373306,52172233,and 51832004)the Natural Science Foundation of Hubei Province(2023AFA053)the Hainan Provincial Joint Project of Sanya Yazhou Bay Science and Technology City(2021CXLH0007).
文摘Aqueous sodium-ion batteries(ASIBs)and aqueous potassium-ion batteries(APIBs)present significant potential for large-scale energy storage due to their cost-effectiveness,safety,and environmental compatibility.Nonetheless,the intricate energy storage mechanisms in aqueous electrolytes place stringent require-ments on the host materials.Prussian blue analogs(PBAs),with their open three-dimensional framework and facile synthesis,stand out as leading candidates for aqueous energy storage.However,PBAs possess a swift capacity fade and limited cycle longevity,for their structural integrity is compromised by the pronounced dis-solution of transition metal(TM)ions in the aqueous milieu.This manuscript provides an exhaustive review of the recent advancements concerning PBAs in ASIBs and APIBs.The dissolution mechanisms of TM ions in PBAs,informed by their structural attributes and redox processes,are thoroughly examined.Moreover,this study delves into innovative design tactics to alleviate the dissolution issue of TM ions.In conclusion,the paper consolidates various strategies for suppressing the dissolution of TM ions in PBAs and posits avenues for prospective exploration of high-safety aqueous sodium-/potassium-ion batteries.
基金This work was supported by the National Natural Science Foundation of China(52372289,52102368,52072192 and 51977009)Regional Joint Fund for Basic Research and Applied Basic Research of Guangdong Province(No.2020SA001515110905).
文摘The laminated transition metal disulfides(TMDs),which are well known as typical two-dimensional(2D)semiconductive materials,possess a unique layered structure,leading to their wide-spread applications in various fields,such as catalysis,energy storage,sensing,etc.In recent years,a lot of research work on TMDs based functional materials in the fields of electromagnetic wave absorption(EMA)has been carried out.Therefore,it is of great significance to elaborate the influence of TMDs on EMA in time to speed up the application.In this review,recent advances in the development of electromagnetic wave(EMW)absorbers based on TMDs,ranging from the VIB group to the VB group are summarized.Their compositions,microstructures,electronic properties,and synthesis methods are presented in detail.Particularly,the modulation of structure engineering from the aspects of heterostructures,defects,morphologies and phases are systematically summarized,focusing on optimizing impedance matching and increasing dielectric and magnetic losses in the EMA materials with tunable EMW absorption performance.Milestones as well as the challenges are also identified to guide the design of new TMDs based dielectric EMA materials with high performance.
基金supported by the Teli Fellowship from Beijing Institute of Technology,the National Natural Science Foundation of China(Nos.52303366,22173109).
文摘In recent years,low-dimensional transition metal chalcogenide(TMC)materials have garnered growing research attention due to their superior electronic,optical,and catalytic properties compared to their bulk counterparts.The controllable synthesis and manipulation of these materials are crucial for tailoring their properties and unlocking their full potential in various applications.In this context,the atomic substitution method has emerged as a favorable approach.It involves the replacement of specific atoms within TMC structures with other elements and possesses the capability to regulate the compositions finely,crystal structures,and inherent properties of the resulting materials.In this review,we present a comprehensive overview on various strategies of atomic substitution employed in the synthesis of zero-dimensional,one-dimensional and two-dimensional TMC materials.The effects of substituting elements,substitution ratios,and substitution positions on the structures and morphologies of resulting material are discussed.The enhanced electrocatalytic performance and photovoltaic properties of the obtained materials are also provided,emphasizing the role of atomic substitution in achieving these advancements.Finally,challenges and future prospects in the field of atomic substitution for fabricating low-dimensional TMC materials are summarized.
基金Hubei Provincial Natural Science Foundation of China (2023AFB0049)Scientific Research Fund Project of Wuhan Institute of Technology (K202232 and K2023028)Graduate Education Innovation Fund of Wuhan Institute of Technology (CX2023091)。
文摘The electrochemical oxidation of 5-hydroxymethylfurfural(HMF) represents a significant avenue for sustainable chemical synthesis, owing to its potential to generate high-value derivatives from biomass feedstocks. Transition metal catalysts offer a cost-effective alternative to precious metals for catalyzing HMF oxidation, with transition bimetallic catalysts emerging as particularly promising candidates. In this review, we delve into the intricate reaction pathways and electrochemical mechanisms underlying HMF oxidation, emphasizing the pivotal role of transition bimetallic catalysts in enhancing catalytic efficiency. Subsequently, various types of transition bimetallic catalysts are explored, detailing their synthesis methods and structural modulation strategies. By elucidating the mechanisms behind catalyst modification and performance enhancement, this review sets the stage for upcoming advancements in the field, ultimately advancing the electrochemical HMF conversion and facilitating the transition towards sustainable chemical production.
基金supported by National Undergraduate Training Programs for Innovations[grant number 202210225259]the Outstanding Youth Project of Natural Science Foundation in Heilongjiang Province(YQ2022E040)+3 种基金the Shandong Provincial Natural Science Foundation(ZR2022ME166)the Postdoctoral Scientific Research Developmental Fund of Heilongjiang Province(LBH-Q20023)the University Nursing Program for Young Scholars with Creative Talents in Heilongjiang Province(UNPYSCT-2020197)the 111 Project(B20088).
文摘Supercapacitors(SCs)are considered promising energy storge systems because of their outstanding power density,fast charge and discharge rate and long-term cycling stability.The exploitation of cheap and efficient electrode materials is the key to improve the performance of supercapacitors.As the battery-type materials,transition metal phosphides(TMPs)possess high theoretical specific capacity,good electrical conductivity and superior structural stability,which have been extensively studied to be electrode materials for supercapacitors.In this review,we summarize the up-to-date progress on TMPs materials from diversified synthetic methods,diverse nanostructures and several prominent TMPs and their composites in application of supercapacitors.In the end,we also propose the remaining challenges toward the rational discovery and synthesis of high-performance TMP electrodes materials for energy storage.
基金supported by the National Key Research and Development Program of China(Grant Nos.2021YFA1401800 and 2022YFA1403900)the National Natural Science Foundation of China(Grant Nos.U2032214,12122414,12104487,and 12004419)+1 种基金the Strategic Priority Research Program(B)of the Chinese Academy of Sciences(Grant No.XDB25000000)supported by the US Department of Energy,Office of Basic Energy Sciences(Grant No.DOE-sc0012704)。
文摘What factors fundamentally determine the value of superconducting transition temperature Tc in high temperature superconductors has been the subject of intense debate.Following the establishment of an empirical law known as Homes'law,there is a growing consensus in the community that the Tc value of the cuprate superconductors is closely linked to the superfluid density(ρ_(s))of its ground state and the conductivity(σ)of its normal state.However,all the data supporting this empirical law(ρ_(s)=AσT_(c))have been obtained from the ambientpressure superconductors.In this study,we present the first high-pressure results about the connection of the quantities of ρ_(s) and σ with T_(c),through the studies on the Bi_(1.74)Pb_(0.38)Sr_(1.88)CuO_(6+δ)and Bi_(2)Sr_(2)CaCu_(2)O_(8+δ),in which the value of their high-pressure resistivity(ρ=1/σ)is achieved by adopting our newly established method,while the quantity ofρs is extracted using Homes'law.We highlight that the Tc values are strongly linked to the joint response factors of magnetic field and electric field,i.e.,ρ_(s) and σ,respectively,implying that the physics determining T_(c) is governed by the intrinsic electromagnetic fields of the system.
基金The authors acknowledge funding from National Natural Science Foundation of China(52302307)Shaanxi Province(2023-ZDLGY-24,2023-JC-QN-0473)+2 种基金project funded by China Postdoctoral Science Foundation(2023MD734210)the Open Foundation of State Key Laboratory for Advanced Metals and Materials(2022-Z01)Shaanxi Provincial Department of Education industrialization project(21JC018).
文摘Engineering transition metal compounds(TMCs)catalysts with excellent adsorption-catalytic ability has been one of the most effec-tive strategies to accelerate the redox kinetics of sulfur cathodes.Herein,this review focuses on engineering TMCs catalysts by cation doping/anion doping/dual doping,bimetallic/bi-anionic TMCs,and TMCs-based heterostructure composites.It is obvious that introducing cations/anions to TMCs or constructing heterostructure can boost adsorption-catalytic capacity by regulating the electronic structure including energy band,d/p-band center,electron filling,and valence state.Moreover,the elec-tronic structure of doped/dual-ionic TMCs are adjusted by inducing ions with different electronegativity,electron filling,and ion radius,resulting in electron redistribution,bonds reconstruction,induced vacancies due to the electronic interaction and changed crystal structure such as lat-tice spacing and lattice distortion.Different from the aforementioned two strategies,heterostructures are constructed by two types of TMCs with different Fermi energy levels,which causes built-in electric field and electrons transfer through the interface,and induces electron redistribution and arranged local atoms to regulate the electronic structure.Additionally,the lacking studies of the three strategies to comprehensively regulate electronic structure for improving catalytic performance are pointed out.It is believed that this review can guide the design of advanced TMCs catalysts for boosting redox of lithium sulfur batteries.
