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Level-shifted embedded cluster method may offer a viable alternative for the simulation of metal oxides
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作者 Zi-Jian Zhou Xin-Ping Wu 《Chinese Journal of Structural Chemistry》 2025年第5期1-2,共2页
The use of metal oxides has been extensively documented in the literature and applied in a variety of contexts,including but not limited to energy storage,chemical sensors,and biomedical applications.One of the most s... The use of metal oxides has been extensively documented in the literature and applied in a variety of contexts,including but not limited to energy storage,chemical sensors,and biomedical applications.One of the most significant applications of metal oxides is heterogeneous catalysis,which represents a pivotal technology in industrial production on a global scale.Catalysts serve as the primary enabling agents for chemical reactions,and among the plethora of catalysts,metal oxides including magnesium oxide(MgO),ceria(CeO_(2))and titania(TiO_(2)),have been identified to be particularly effective in catalyzing a variety of reactions[1].Theoretical calculations based on density functional theory(DFT)and a multitude of other quantum chemistry methods have proven invaluable in elucidating the mechanisms of metal-oxide-catalyzed reactions,thereby facilitating the design of high-performance catalysts[2]. 展开更多
关键词 chemical reactionsand industrial production heterogeneous catalysiswhich metal oxides energy storagechemical biomedical applicationsone level shifted embedded cluster method catalystsmetal oxides
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Unravelling the synergistic effects in GdCe composite oxides supported biochar catalysts for formaldehyde elimination: Elevated performance and SO_(2) toleration
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作者 Yun Jiang Lei Gao +6 位作者 Jianyong Dai Caiting Li Huiyu Xiong Yeling Li Zhichao Liu Wenjun Wang Junhao Hu 《Journal of Environmental Sciences》 2025年第6期594-610,共17页
A chain of GdCe oxides boosted biochars derived from maize straw and sewage sludge(GdyCe1-y/MPBs)were fabricated for formaldehyde(HCHO)catalytic decomposition.The ingenerate relationship between the abatement performa... A chain of GdCe oxides boosted biochars derived from maize straw and sewage sludge(GdyCe1-y/MPBs)were fabricated for formaldehyde(HCHO)catalytic decomposition.The ingenerate relationship between the abatement performance and corresponding structural feature was comprehensively evaluated by XPS,in situ DRIFTS,BET,XRD,SEM and H_(2)-TPR.Meanwhile,10%Gd0.25Ce0.75/MPB exhibited excellent performance,favorable SO_(2) and moisture toleration over a broad temperature range from 160 to 320℃,where it achieved 96.8%removal efficiency with 90.5%selectivity at 200℃.The single or united effects of O_(2),SO_(2),H_(2)O on HCHO abatement over 10%Gd_(0.25)Ce_(0.75)/MPB were tested,and the findings demonstrated that the suppressive effects of SO_(2) and H_(2)O outweighed the promoting influence of O_(2) within a specific range.Gd and Ce co-modified MPB revealed superior HCHO removal capability in contrast to that of Gd or Ce severally modified MPB,ascribing to the synergistic effect of GdO_(x) and CeO_(x) and benefitting from the augmentation of surface area and total pore volume,the aggrandizement of surface active oxygen species,the promotion of redox ability and the inhibition crystallization of CeO_(x).According to in situ DRIFTS,a series of intermediates including formate species and dioxymethylene(DOM)were produced,which would eventually decompose into H_(2)O and CO_(2).In addition,the mass transfer and diffusion of the reactants along with the accessibility of the catalytic sites were enlarged by the hierarchical porous structure of the support,which were also answerable for its distinguished catalytic performance.Furthermore,10%Gd0.25Ce0.75/MPB possessed remarkable potential for industrial applications. 展开更多
关键词 FORMALDEHYDE Catalytic oxidation Gd-Ce oxides Hierarchical porous biochar
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Versatile catalytic membranes anchored with metal-nitrogen based metal oxides for ultrafast Fenton-like oxidation
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作者 Qingbai Tian BingLiang Yu +3 位作者 Zhihao Li Wei Hong Qian Li Xing Xu 《Chinese Chemical Letters》 2025年第6期557-561,共5页
Although the powder Fenton-like catalysts have exhibited high catalytic performances towards pollutant degradation,they cannot be directly used for Fenton-like industrialization considering the problems of loss and re... Although the powder Fenton-like catalysts have exhibited high catalytic performances towards pollutant degradation,they cannot be directly used for Fenton-like industrialization considering the problems of loss and recovery.Therefore,the membrane fixation of catalyst is an important step to realize the actual application of Fenton-like catalysts.In this work,an efficient catalyst was developed with Co-N_(x)configuration facilely reconstructed on the surface of Co_(3)O_(4)(Co-N_(x)/Co_(3)O_(4)),which exhibited superior catalytic activity.We further fixed the highly efficient Co-N_(x)/Co_(3)O_(4)onto three kinds of organic membranes and one kind of inorganic ceramic membrane installing with the residual PMS treatment device to investigate its catalytic stability and sustainability.Results indicated that the inorganic ceramic membrane(CM)can achieve high water flux of 710 L m-2h-1,and the similar water flux can be achieved by Co-N_(x)/Co_(3)O_(4)/CM even without the pressure extraction.We also employed the Co-N_(x)/Co_(3)O_(4)/CM system to the wastewater secondary effluent,and the pollutant in complicated secondary effluent could be highly removed by the Co-N_(x)/Co_(3)O_(4)/CM system.This paper provides a new point of view for the application of metal-based catalysts with M-N_(x)coordination in catalytic reaction device. 展开更多
关键词 PEROXYMONOSULFATE Catalytic membranes Metal oxides Fenton-like reaction Ceramic membrane
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Correction:Initiating Binary Metal Oxides Microcubes Electromagnetic Wave Absorber Toward Ultrabroad Absorption Bandwidth Through Interfacial and Defects Modulation
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作者 Fushan Li Nannan Wu +8 位作者 Hideo Kimura Yuan Wang Ben Bin Xu Ding Wang Yifan Li Hassan Algadi Zhanhu Guo Wei Du Chuanxin Hou 《Nano-Micro Letters》 2025年第11期530-533,共4页
Following publication of the original article[1],the authors found that they pasted the same data when drawing XRD for sample NCO-1 and NCO-2 in Fig.2a,however,the XRD of all four samples in the manuscript was tested,... Following publication of the original article[1],the authors found that they pasted the same data when drawing XRD for sample NCO-1 and NCO-2 in Fig.2a,however,the XRD of all four samples in the manuscript was tested,and XRD raw data were kept and can be offered.The correct Fig.2 has been provided in this Correction. 展开更多
关键词 binary metal oxides ultrabroad absorption bandwidth electromagnetic wave absorber interfacial modulation defects modulation XRD microcubes
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Recent achievements in rare earth modified metal oxides for environmental and energy applications:A review
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作者 Yicheng Li Qian Liu +2 位作者 Tianhao Li Hao Bi Zhurui Shen 《Chinese Chemical Letters》 2025年第9期112-127,共16页
Rare earth metal elements include lanthanide elements as well as scandium and yttrium,totaling seventeen metal elements.Due to the wide application prospects of rare earth metal elements in various fields such as lumi... Rare earth metal elements include lanthanide elements as well as scandium and yttrium,totaling seventeen metal elements.Due to the wide application prospects of rare earth metal elements in various fields such as luminescent materials,magnetic materials,catalytic materials,electronic devices,they have an important strategic position.In the field of electrocatalysis,rare earth metal elements have great potential for development due to their unique 4f electron layer structure,spin orbit coupling,high reactivity,controllable coordination number,and rich optical properties.However,there is currently a lack of systematic reviews on the modification strategies of rare earth metal elements and the latest developments in electrocatalysis.Therefore,in order to stimulate the enthusiasm of researchers,this review focuses on the application progress of rare earth metal element modified metal oxides in multiple fields such as wastewater treatment,hydrogen peroxide synthesis,hydrogen evolution reaction(HER),carbon dioxide reduction reaction(CO_(2)RR),nitrogen reduction reaction(NRR)and machine learning assisted research.In depth analysis of its electrocatalytic mechanism in various application scenarios and key factors affecting electrocatalytic performance.This review is of great significance for further developing high-performance and multifunctional electrocatalysts,and is expected to provide strong support for the development of energy,environment,and chemical industries. 展开更多
关键词 Rare earth metal ELECTROCATALYSIS Metal oxides Machine learning Environment and energy
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Investigation into enhanced performance of toluene and Hg^(0) stimulative abatement over Cr-Mn oxides co-modified columnar activated coke
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作者 Jiajie Wang Jie Liu +7 位作者 Lei Gao Dong Xie Caiting Li Liping Xiang Huiyu Xiong Jiaqi Xie Tianren Zhang Yueguo Pan 《Journal of Environmental Sciences》 2025年第2期88-106,共19页
In this study,a string of Cr-Mnco-modified activated coke catalysts(XCryMn1-y/AC)were prepared to investigate toluene and Hg^(0) removal performance.Multifarious characterizations including XRD,TEM,SEM,in situ DRIFTS,... In this study,a string of Cr-Mnco-modified activated coke catalysts(XCryMn1-y/AC)were prepared to investigate toluene and Hg^(0) removal performance.Multifarious characterizations including XRD,TEM,SEM,in situ DRIFTS,BET,XPS and H_(2)-TPR showed that 4%Cr0.5Mn0.5/AC had excellent physicochemical properties and exhibited the best toluene and Hg^(0) removal efficiency at 200℃.By varying the experimental gas components and conditions,it was found that too large weight hourly space velocity would reduce the removal efficiency of toluene and Hg^(0).Although O_(2) promoted the abatement of toluene and Hg^(0),the inhibitory role of H_(2)O and SO_(2) offset the promoting effect of O_(2) to some extent.Toluene significantly inhibited Hg^(0) removal,resulting from that toluene was present at concentrations orders of magnitude greater than mercury’s or the catalyst was more prone to adsorb toluene,while Hg^(0) almost exerted non-existent influence on toluene elimination.The mechanistic analysis showed that the forms of toluene and Hg^(0) removal included both adsorption and oxidation,where the high-valent metal cations and oxygen vacancy clusters promoted the redox cycle of Cr^(3+)+Mn^(3+)/Mn^(4+)+Cr^(6+)+Mn^(2+),which facilitated the conversion and replenishment of reactive oxygen species in the oxidation process,and even the CrMn_(1.5)O_(4) spinel structure could provide a larger catalytic interface,thus enhancing the adsorption/oxidation of toluene and Hg^(0).Therefore,its excellent physicochemical properties make it a costeffective potential industrial catalyst with outstanding synergistic toluene and Hg^(0) removal performance and preeminent resistance to H_(2)O and SO_(2). 展开更多
关键词 TOLUENE Element mercury Cr-Mn oxides Activated coke
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Feasibility study of a process for the reduction of sulfur oxides in flue gas of fluid catalytic cracking unit using the riser reactor
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作者 Fa-Lu Dang Gang Wang +2 位作者 Jing-Cun Lian Yu Yang Mei-Jia Liu 《Petroleum Science》 2025年第2期909-924,共16页
In this work,a new process for achieving the recovery of elemental sulfur by utilizing a fluidized catalytic cracking(FCC) riser reactor for SOxtreatment(FCC-DeSOx) is proposed.The process leverages the high temperatu... In this work,a new process for achieving the recovery of elemental sulfur by utilizing a fluidized catalytic cracking(FCC) riser reactor for SOxtreatment(FCC-DeSOx) is proposed.The process leverages the high temperatures and hydrocarbon concentrations in the FCC riser reactor to convert SOxinto H_(2)S.Subsequently,H_(2)S,along with the cracked gas,is processed downstream to produce sulfur.Thermodynamic analysis of the key reduction reactions in the FCC-DeSOxprocess revealed that complete conversion of SOxto H_(2)S is feasible in the dry gas(hydrogen-rich) prelift zone,as well as the upper and lower zones of the riser,upon achieving thermodynamic equilibrium.Experimental studies were conducted to replicate the conditions of these reaction zones using a low concentration of hydrogen gas as the reducing agent.Through process optimization,investigation of the minimum reaction time,and kinetic studies,the potential of this method for the complete reduction of SOxwas further confirmed. 展开更多
关键词 Sulfur oxides New catalytic cracking process Thermodynamic analysis Kinetic analysis Sulfur recovery
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Ionic-electronic dual-conductor interface engineering and architecture design in layered lithium-rich manganese-based oxides
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作者 Youyou Fang Yuefeng Su +10 位作者 Jinyang Dong Jiayu Zhao Haoyu Wang Ning Li Yun Lu Yujia Wu Wenbo Li Ni Yang Xiaojuan Wu Feng Wu Lai Chen 《Carbon Energy》 2025年第2期24-40,共17页
The burgeoning growth in electric vehicles and portable energy storage systems necessitates advances in the energy density and cost-effectiveness of lithium-ion batteries(LIBs),areas where lithium-rich manganese-based... The burgeoning growth in electric vehicles and portable energy storage systems necessitates advances in the energy density and cost-effectiveness of lithium-ion batteries(LIBs),areas where lithium-rich manganese-based oxide(LLO)materials naturally stand out.Despite their inherent advantages,these materials encounter significant practical hurdles,including low initial Coulombic efficiency(ICE),diminished cycle/rate performance,and voltage fading during cycling,hindering their widespread adoption.In response,we introduce an ionic-electronic dual-conductive(IEDC)surface control strategy that integrates an electronically conductive graphene framework with an ionically conductive heteroepitaxial spinel Li_(4)Mn_(5)O_(12)layer.Prolonged electrochemical and structural analyses demonstrate that this IEDC heterostructure effectively minimizes polarization,mitigates structural distortion,and enhances electronic/ionic diffusion.Density functional theory calculations highlight an extensive Li^(+)percolation network and lower Li^(+)migration energies at the layered-spinel interface.The designed LLO cathode with IEDC interface engineering(LMOSG)exhibits improved ICE(82.9%at 0.1 C),elevated initial discharge capacity(296.7 mAh g^(-1)at 0.1 C),exceptional rate capability(176.5 mAh g^(-1)at 5 C),and outstanding cycle stability(73.7%retention at 5 C after 500 cycles).These findings and the novel dual-conductive surface architecture design offer promising directions for advancing highperformance electrode materials. 展开更多
关键词 architecture design high-rate cyclability ionic-electronic dual-conductor layered lithiumrich manganese-based oxides lithium-ion battery
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Fe oxides nano-modified pumice enhances hydrogenotrophic methanogenesis in anaerobic digestion:Performance and mechanism of microbial community
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作者 Jiaqi Liu Yong Zhang +5 位作者 Jian Huang Lili Yang Yuzhou Yang Guohao Deng Dingcheng Hu Chuanchuan Yan 《Journal of Environmental Sciences》 2025年第8期114-127,共14页
Anaerobic digestion(AD),as an eco-friendly biological process,shows potential for the decomposition of leachate produced by waste incineration power plants.In this study,the effects of Fe oxides nano-modified pumice(F... Anaerobic digestion(AD),as an eco-friendly biological process,shows potential for the decomposition of leachate produced by waste incineration power plants.In this study,the effects of Fe oxides nano-modified pumice(FNP)were investigated on the fresh leachate AD process.Firstly,a simple hydrothermal method was used to prepare FNP,then introduced into the UASB reactor to evaluate its AD efficiency.Results showed that the inclusion of FNP could shorten the lag phase by 10 days compared to the control group.Furthermore,cumulative methane production in the FNP group was enhanced by 20.11%.Mechanistic studies suggested that hydrogenotrophic methanogenesis in the FNP group was more pronounced due to the influence of key enzymes(i.e.,dehydrogenase and coenzyme F420).Microbial community analysis demonstrated that FNP could enhance the abundance of Methanosarcina,Proteobacteria,Sytrophomonas,and Limnobacter,which might elevate enzyme activity involved in methane production.These findings suggest that FNP might mediate interspecies electron transfer among these microorganisms,which is essential for efficient leachate treatment. 展开更多
关键词 Anaerobic digestion Fe oxides nano-modified pumice (FNP) Incineration leachate Methane production Functional enzyme Microbial community structure
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Enhancing performance of proton ceramic fuel cells through fluorine-doped perovskite oxides
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作者 Wen-Huai Li Yong-Xin Li +9 位作者 Yan Yang Yang-Feng Song Wen-Xin Liu Wei-Feng Chen Yao-Ji Chen Feng-Ping Yu Chun-Liang Ge Yu Guo Ran Ran Wei Zhou 《Rare Metals》 2025年第4期2405-2415,共11页
Proton ceramic fuel cell efficiently converts chemical energy into electrical energy,representing a pivotal component of future energy systems.However,its current performance is hindered by limitations in cathode and ... Proton ceramic fuel cell efficiently converts chemical energy into electrical energy,representing a pivotal component of future energy systems.However,its current performance is hindered by limitations in cathode and electrolyte materials,thereby impeding commercialization.Anion doping emerges as a promising strategy to enhance the electrochemical efficiency of perovskite-based cathodes and electrolytes.However,integrating this approach within a single-cell structure still requires further research.In this study,F-doped perovskite oxides BaCo_(0.4)Fe_(0.4)Zr_(0.1)Y_(0.1)O_(2.9-δ)F_(0.1)(BCFZYF)and BaZr_(0.1)Ce_(0.7)Y_(0.1)Yb_(0.1)O_(2.9-δ)F_(0.1)(BZCYYbF)were synthesized for use as the cathode and electrolyte,respectively,in proton ceramic fuel cells.Our findings demonstrate that F-doped perovskite oxides exhibit superior electrochemical performance and enhanced structural stability.Furthermore,doping both electrodes and electrolytes with F ions improves their interfacial compatibility.The cell configuration BCFZYF|BZCYYbF|Ni-BZCYYbF achieved a peak power density of 998 mW·cm^(−2)at 650℃using H_(2)as fuel,and it maintained stable operation for over 400 h at 550℃with a current density of 400 mA·cm^(−2).This research underscores an effective strategy for enhancing the performance and durability of proton ceramic fuel cells. 展开更多
关键词 Proton ceramic fuel cell Perovskite oxides Fluorine doped Ion migration
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On the Multi-q Characteristics of Magnetic Ground States of Honeycomb Cobalt Oxides
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作者 Yuchen Gu Xianghong Jin Yuan Li 《Chinese Physics Letters》 2025年第2期98-108,共11页
The Kitaev honeycomb model has received significant attention due to its exactly solvable quantum spin liquid ground states and fractionalized excitations.Layered cobalt oxides have been considered as a promising plat... The Kitaev honeycomb model has received significant attention due to its exactly solvable quantum spin liquid ground states and fractionalized excitations.Layered cobalt oxides have been considered as a promising platform for realizing this model.However,in contrast to the conventional wisdom regarding the single-q zigzag magnetic order inferred from previous studies of the candidate materials Na_(2)IrO_(3) and α-RuCl_(3),recent experiments on two representative honeycomb cobalt oxides,hexagonal Na_(2)Co_(2)TeO_(6) and monoclinic Na_(3)Co_(2)SbO_(6),have uncovered evidence for more complex multi-q zigzag order variants.This review surveys the experimental strategies used to distinguish between single-and multi-q orders,along with the crystallographic symmetries of cobalt oxides,in comparison with previously studied systems.The general formation mechanism of multi-q order is also briefly discussed.The goal is to provide a solid ground for examining the relevance of multi-q order in honeycomb cobalt oxides and discuss its implications for the microscopic model of these intriguing quantum magnets. 展开更多
关键词 COBALT oxides QUANTUM
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Designing gadolinium-transition metals-based perovskite type high entropy oxides with good cryogenic magnetocaloric performances
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作者 Junli Lin Xin Wang +2 位作者 Fengying Chen Hai-Feng Li Lingwei Li 《Journal of Materials Science & Technology》 2025年第4期317-323,共7页
Cryogenic magnetic cooling based on the principle of the magnetocaloric effects(MCEs)of magnetic solids has been recognized as an alternative cooling technology due to its significant economic and social benefits.Desi... Cryogenic magnetic cooling based on the principle of the magnetocaloric effects(MCEs)of magnetic solids has been recognized as an alternative cooling technology due to its significant economic and social benefits.Designing novel magnetic materials with good magnetocaloric performance is a prerequisite for practical applications.In this study,three gadolinium-transition metal-based high entropy oxides(HEOs)of Gd(Fe_(1/4)Ni_(1/4)Al_(1/4)Cr_(1/4))O_(3),Gd(Fe_(1/5)Ni_(1/5)Al_(1/5)Cr_(1/5)Co_(1/5))O_(3),and Gd(Fe_(1/6)Ni_(1/6)Al_(1/6)Cr_(1/6)Co_(1/6)Mn_(1/6))O_(3)were designed and systematically characterized regarding their structural and cryogenic magnetic properties.These HEOs were confirmed to crystallize into a single-phase perovskite-type orthorhombic structure with a homogeneous microstructure,reveal a second-order magnetic transition at low temperatures,and exhibit significant cryogenic MCEs.The magnetocaloric performances of the present HEOs,identified by magnetic entropy changes,relative cooling power,and temperature-averaged entropy changes,were com-parable with recently reported candidate materials.The present study indicates potential applications for cryogenic magnetic cooling of the present HEOs and provides meaningful clues for designing and exploring HEOs with good cryogenic magnetocaloric performances. 展开更多
关键词 High entropy oxides Transition metal Magnetocaloric properties Cryogenic magnetic refrigeration
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Development and application of a nitrogen oxides analyzer based on the cavity attenuated phase shift technique
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作者 Jun Zhou Wenjie Wang +5 位作者 Yanfeng Wu Chunsheng Zhang Aiming Liu Yixin Hao Xiao-Bing Li Min Shao 《Journal of Environmental Sciences》 2025年第4期692-703,共12页
Nitrogen oxides(NO_(x))are crucial in tropospheric photochemical ozone(O_(3))production and oxidation capacity.Currently,the widely used NO_(x)measurement technique is chemiluminescence(CL)(CL-NO_(x)),which tends to o... Nitrogen oxides(NO_(x))are crucial in tropospheric photochemical ozone(O_(3))production and oxidation capacity.Currently,the widely used NO_(x)measurement technique is chemiluminescence(CL)(CL-NO_(x)),which tends to overestimate NO_(2)due to atmospheric oxidation products of NO_(x)(i.e.,NO_(z)).We developed and characterized a NO_(x)measurement system using the cavity attenuated phase shift(CAPS)technique(CAPS-NO_(x)),which is free from interferences with nitrogen-containing species.The NO_(x)measured by the CAPS-NO_(x)and CL-NO_(x)analyzers were compared.Results show that both analyzers showed consistent measurement results for NO,but the NO_(2)measured by the CAPS-NO_(x)analyzer(NO_(2)_CAPS)was mostly lower than that measured by the CL-NO_(x)analyzer(NO_(2)_CL),which led to the deviations in O_(3)formation sensitivity regime and O_(x)(=O_(3)+NO_(2))sources(i.e.,regional background and photochemically produced O_(x))determined by the ozone production efficiencies(OPE)calculated from NO_(2)_CL and NO_(2)_CAPS.Overall,OPE_CL exceeded OPE_CAPS by 18.9%,which shifted 3 out of 13 observation days from the VOCs-limited to the transition regime when judging using OPE_CL,as compared to calculations using OPE_CAPS.During the observation period,days dominated by regional background O_(x)accounted for 46%and 62%when determined using NO_(2)_CL and NO_(2)_CAPS,respectively.These findings suggest that the use of the CL-NO_(x)analyzer tends to underestimate both the VOCs-limited regime and the regional background O_(x)dominated days.The newly built CAPS-NO_(x)analyzer here can promote the accurate measurement of NO_(2),which is meaningful for diagnosing O_(3)formation regimes and O_(x)sources. 展开更多
关键词 Nitrogen oxides measurement Cavity attenuated phase shift (CAPS)technique Instrument development O_(3)formation regime O_(x)source
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Face-sharing strategy helps achieve lithium superionic conductivity in face-centred cubic oxides
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作者 Yepei Li Kun Lin 《Chinese Journal of Structural Chemistry》 2025年第4期9-11,共3页
All-solid-state lithium ion batteries(ASSLIBs)have attracted much attention due to their high safety and increased energy density,which have become a substitute to conventional liquid electrolyte batteries[1].The deve... All-solid-state lithium ion batteries(ASSLIBs)have attracted much attention due to their high safety and increased energy density,which have become a substitute to conventional liquid electrolyte batteries[1].The development of high-performance solid electrolyte is the key to the development of solid-state battery technology.Solid-state electrolyte(SSE)materials should have high ionic conductivity,poor electronic conductivity,wide electrochemical window,and low electrode and electrolyte interface resistance. 展开更多
关键词 lithium superionic conductivity lithium ion batteries asslibs face centred cubic oxides electronic conductivitywide liquid electrolyte batteries electrode electrolyte interface resistance all solid state lithium ion batteries high safety
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Facilitating ultra-fast lithium ion diffusion in face-centered cubic oxides via over-stoichiometric face-sharing configurations
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作者 Xiaohan Zhang Bo Xiao 《Chinese Journal of Structural Chemistry》 2025年第2期3-4,共2页
As an important sustainable energy source,Li-ion batteries have been widely used in mobile phones,electric vehicles,large-scale energy storage and aerospace.However,due to the inevitable safety risks of traditional li... As an important sustainable energy source,Li-ion batteries have been widely used in mobile phones,electric vehicles,large-scale energy storage and aerospace.However,due to the inevitable safety risks of traditional liquid Li-ion batteries,the use of all-solid-state batteries to replace organic liquid electrolytes has become one of the most effective ways to solve safety problem.Solid-state electrolyte(SSE)is the core part of allsolid-state Li-ion battery,and ideal SSE has the characteristics of high ionic conductivity,wide enough electrochemical stability window,suitable mechanical strength and excellent chemical stability,the first among which is particularly an essential prerequisite.While,so far only a few SSEs exhibit the Li ionic conductivities higher than 10^(-4) S/cm at room temperature. 展开更多
关键词 ultra fast lithium ion diffusion safety risks safety problemsolid state stoichiometric face sharing configurations all solid state batteries organic liquid electrolytes sustainable energy sourceli ion face centered cubic oxides
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The recent progress of high-entropy layered double hydroxides and high-entropy amorphous materials for water electrocatalysis
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作者 Tadele Hunde Wondimu Zuo Yong +5 位作者 Akeel A.Shah Puiki Leung Yilkal Dessie Filimon Hadish Abraha Cristina Flox Qiang Liao 《DeCarbon》 2025年第2期64-83,共20页
High-entropy materials(HEMs),which are typically composed of five or more elements in near-equimolar ratios with concentrations ranging from 5%to 35%,have distinct elemental compositions and geometric properties that ... High-entropy materials(HEMs),which are typically composed of five or more elements in near-equimolar ratios with concentrations ranging from 5%to 35%,have distinct elemental compositions and geometric properties that allow for the development of advanced electrocatalysts for renewable energy conversion systems.The highentropy effect,crystal dislocations,cocktail effect,and slow diffusion in high-entropy layered double hydroxides(HE-LDHs)and amorphous materials(HE-AMs)have all been shown to boost electrocatalytic water oxidation performance significantly.These materials exhibit remarkable activity and stability in both alkaline and acidic conditions.HE-AMs,in particular,benefit from a variety of defects,including coordinatively unsaturated sites and loosely connected atoms,which are critical to their improved catalytic capabilities.HEMs engineering and precise nanostructure control can address the low intrinsic activity,restricted active sites,and poor conductivity of binary and ternary amorphous and LDH catalysts.This study discusses current advances in HE-LDHs and HE-AMs for water electrolysis,including synthesis methods,structural features,active site identification by DFT calculations,and their applications in water electrocatalysis.The presentation also covers potential problems and future directions for developing these materials in energy conversion device systems. 展开更多
关键词 Layered double hydroxides ELECTROCATALYST Water oxidation Amorphous high-entropy and renewable energy
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Elements gradient doping in Mn-based Li-rich layered oxides for long-life lithium-ion batteries 被引量:2
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作者 Yinzhong Wang Shiqi Liu +7 位作者 Xianwei Guo Boya Wang Qinghua Zhang Yuqiang Li Yulong Wang Guoqing Wang Lin Gu Haijun Yu 《Journal of Materials Science & Technology》 2025年第4期266-273,共8页
The cobalt-free Mn-based Li-rich layered oxide material has the advantages of low cost,high energy density,and good performance at low temperatures,and is the promising choice for energy storage batteries.However,the ... The cobalt-free Mn-based Li-rich layered oxide material has the advantages of low cost,high energy density,and good performance at low temperatures,and is the promising choice for energy storage batteries.However,the long-cycling stability of batteries needs to be improved.Herein,the Mn-based Li-rich cathode materials with small amounts of Li2 MnO3 crystal domains and gradient doping of Al and Ti elements from the surface to the bulk have been developed to improve the structure and interface stability.Then the batteries with a high energy density of 600 Wh kg^(-1),excellent capacity retention of 99.7%with low voltage decay of 0.03 mV cycle^(-1) after 800 cycles,and good rates performances can be achieved.Therefore,the structure and cycling stability of low voltage Mn-based Li-rich cathode materials can be significantly improved by the bulk structure design and interface regulation,and this work has paved the way for developing low-cost and high-energy Mn-based energy storage batteries with long lifetime. 展开更多
关键词 Mn-based Li-rich layered oxide cathode Li_(2)MnO_(3)crystal domain Elemental gradient Lithium-ion batteries Energy storage
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Medium-entropy configuration enabling reversible P2-OP4 phase transition in layered oxides for high-rate sodium-ion batteries 被引量:1
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作者 Fei-Fei Hong Xin Zhou +9 位作者 Hao Liu Gui-Lin Feng Xiao-Hong Liu Heng Zhang Wei-Feng Fan Bin Zhang Mei-Hua Zuo Wang-Yan Xing Ping Zhang Wei Xiang 《Rare Metals》 2025年第5期2997-3007,共11页
Layered transition metal oxides have emerged as promising cathode materials for sodium ion batteries.However,irreversible phase transitions cause structural distortion and cation rearrangement,leading to sluggish Na+d... Layered transition metal oxides have emerged as promising cathode materials for sodium ion batteries.However,irreversible phase transitions cause structural distortion and cation rearrangement,leading to sluggish Na+dynamics and rapid capacity decay.In this study,we propose a medium-entropy cathode by simultaneously introducing Fe,Mg,and Li dopants into a typical P2-type Na_(0.75)Ni_(0.25)Mn_(0.75)O_(2)cathode.The modified Na_(0.75)Ni_(0.2125)Mn_(0.6375)Fe_(0.05)Mg_(0.05)Li_(0.05)O_(2)cathode predominantly exhibits a main P2 phase(93.5%)with a minor O3 phase(6.5%).Through spectroscopy techniques and electrochemical investigations,we elucidate the redox mechanisms of Ni^(2+/3+/4+),Mn^(3+/4+),Fe^(3+/4+),and O_(2)-/O_(2)^(n-)during charging/discharging.The medium-entropy doping mitigates the detrimental P2-O_(2)phase transition at high-voltage,replacing it with a moderate and reversible structural evolution(P2-OP4),thereby enhancing structural stability.Consequently,the modified cathode exhibits a remarkable rate capacity of 108.4 mAh·g^(-1)at 10C,with a capacity retention of 99.0%after 200 cycles at 1C,82.5%after 500 cycles at 5C,and 76.7%after 600 cycles at 10C.Furthermore,it also demonstrates superior electrochemical performance at high cutoff voltage of 4.5 V and extreme temperature(55 and 0℃).This work offers solutions to critical challenges in sodium ion batteries cathode materials. 展开更多
关键词 Layered oxide cathode Sodium ion batteries Phase transition Medium-entropy P2/O3 biphasic structure
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Methanolysis/Hydrolysis of Polyethylene Terephthalate Over Cu-Mg-Al Oxides Catalysts Promoted by Trace Water
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作者 NIU Tiantian LIANG Changhai CHEN Xiao 《石油学报(石油加工)》 北大核心 2025年第3期707-719,共13页
With the aim to effectively depolymerize polyethylene terephthalate(PET)under mild reaction conditions,PET methanolysis and dimethyl terephthalate(DMT)hydrolysis are integrated in a catalyst system.Firstly,methanolysi... With the aim to effectively depolymerize polyethylene terephthalate(PET)under mild reaction conditions,PET methanolysis and dimethyl terephthalate(DMT)hydrolysis are integrated in a catalyst system.Firstly,methanolysis of PET to DMT is achieved over Cu-Mg-Al oxide catalyst.Next,terephthalic acid(TPA)is prepared by DMT hydrolysis.It is found that hydrolysis of DMT to TPA can be promoted by introducing trace amount of water in this catalyst system.CuO-MgO-4.5Al_2O_(3)catalyst demonstrates the excellent catalytic performance for the depolymerization of PET with high conversion rate and TPA yield(100%and 99.5%,respectively)after reaction at 160℃for 6 h,which provides a new idea for the depolymerization of PET. 展开更多
关键词 polyethylene terephthalate terephthalic acid METHANOLYSIS HYDROLYSIS Cu-Mg-Al oxide
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Synthesis of stable and porous bimetallic Ti‑MOF for photocatalytic oxidation of aromatic sulfides to sulfoxides
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作者 ZHU Laiyang PAN Xuze +7 位作者 ZHANG Xiaoying XU Xinyu LI Shiheng CAI Fajin WANG Yifan YAO Qingxia QIU Yi SU Jie 《无机化学学报》 北大核心 2025年第10期2115-2126,共12页
In the paper,we report a highly robust and porous bimetallic Ti-MOF(designated Mg_(2)Ti-ABTC)by utiliz-ing a trinuclear[Mg_(2)TiO(COO)_(6)]cluster and a tetradentate H_(4)ABTC(3,3′,5,5′-azobenzene tetracarboxylic ac... In the paper,we report a highly robust and porous bimetallic Ti-MOF(designated Mg_(2)Ti-ABTC)by utiliz-ing a trinuclear[Mg_(2)TiO(COO)_(6)]cluster and a tetradentate H_(4)ABTC(3,3′,5,5′-azobenzene tetracarboxylic acid)ligand.Mg_(2)Ti-ABTC exhibited permanent porosity for N_(2),CO_(2),CH_(4),C_(2)H_(2),C_(2)H_(4),and C_(2)H_(6)gas adsorption.Further-more,Mg_(2)Ti-ABTC exhibited outstanding photocatalytic activity in the oxidation of aromatic sulfides to the corre-sponding sulfoxides under ambient air conditions.Mechanism studies reveal that photoinduced holes(h^(+)),the super-oxide radical(·O_(2)^(-)),and singlet oxygen(^(1)O_(2))are pivotal species involved in the photocatalytic oxidation reaction. 展开更多
关键词 trinuclear heterometal-oxo cluster bimetallic Ti-MOF photocatalytic oxidation
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