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Tuning electronic structure of RuO_(2)by single atom Zn and oxygen vacancies to boost oxygen evolution reaction in acidic medium 被引量:1
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作者 Qing Qin Tiantian Wang +7 位作者 Zijian Li Guolin Zhang Haeseong Jang Liqiang Hou Yu Wang Min Gyu Kim Shangguo Liu Xien Liu 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期94-102,I0003,共10页
The poor stability of RuO_(2)electrocatalysts has been the primary obstacles for their practical application in polymer electrolyte membrane electrolyzers.To dramatically enhance the durability of RuO_(2)to construct ... The poor stability of RuO_(2)electrocatalysts has been the primary obstacles for their practical application in polymer electrolyte membrane electrolyzers.To dramatically enhance the durability of RuO_(2)to construct activity-stability trade-off model is full of significance but challenging.Herein,a single atom Zn stabilized RuO_(2)with enriched oxygen vacancies(SA Zn-RuO_(2))is developed as a promising alternative to iridium oxide for acidic oxygen evolution reaction(OER).Compared with commercial RuO_(2),the enhanced Ru–O bond strength of SA Zn-RuO_(2)by forming Zn-O-Ru local structure motif is favorable to stabilize surface Ru,while the electrons transferred from Zn single atoms to adjacent Ru atoms protects the Ru active sites from overoxidation.Simultaneously,the optimized surrounding electronic structure of Ru sites in SA ZnRuO_(2)decreases the adsorption energies of OER intermediates to reduce the reaction barrier.As a result,the representative SA Zn-RuO_(2)exhibits a low overpotential of 210 mV to achieve 10 mA cm^(-2)and a greatly enhanced durability than commercial RuO_(2).This work provides a promising dual-engineering strategy by coupling single atom doping and vacancy for the tradeoff of high activity and catalytic stability toward acidic OER. 展开更多
关键词 ELECTROCATALYST Acidic oxygen evolution reaction Electronic structure engineering DURABILITY Reaction barrier
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The role of strain in oxygen evolution reaction
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作者 Zihang Feng Chuanlin Dai +5 位作者 Zhe Zhang Xuefei Lei Wenning Mu Rui Guo Xuanwen Liu Junhua You 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第6期322-344,I0009,共24页
The oxygen evolution reaction(OER)is a crucial step in metal-air batteries and water splitting technologies,playing a significant role in the efficiency and achievable heights of these two technologies.However,the OER... The oxygen evolution reaction(OER)is a crucial step in metal-air batteries and water splitting technologies,playing a significant role in the efficiency and achievable heights of these two technologies.However,the OER is a four-step,four-electron reaction,and its slow kinetics result in high overpotentials,posing a challenge.To address this issue,numerous strategies involving modified catalysts have been proposed and proven to be highly efficient.In these strategies,the introduction of strain has been widely reported because it is generally believed to effectively regulate the electronic structure of metal sites and alter the adsorption energy of catalyst surfaces with reaction intermediates.However,strain has many other effects that are not well known,making it an important yet unexplored area.Based on this,this review provides a detailed introduction to the various roles of strain in OER.To better explain these roles,the review also presents the definition of strain and elucidates the potential mechanisms of strain in OER based on the d-band center theory and adsorption volcano plot.Additionally,the review showcases various ways of introducing strain in OER through examples reported in the latest literature,aiming to provide a comprehensive perspective for the development of strain engineering.Finally,the review analyzes the appropriate proportion of strain introduction,compares compressive and tensile strain,and examines the impact of strain on stability.And the review offers prospects for future research directions in this emerging field. 展开更多
关键词 oxygen evolution reaction Strain generation Tensile strain Compressive strain Strain mechanism Strain effects
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Exciting lattice oxygen of nickel–iron bi-metal alkoxide for efficient electrochemical oxygen evolution reaction
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作者 Saihang Zhang Senchuan Huang +8 位作者 Fengzhan Sun Yinghui Li Li Ren Hao Xu Zhao Li Yifei Liu Wei Li Lina Chong Jianxin Zou 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期194-201,I0005,共9页
High efficiency,cost-effective and durable electrocatalysts are of pivotal importance in energy conversion and storage systems.The electro-oxidation of water to oxygen plays a crucial role in such energy conversion te... High efficiency,cost-effective and durable electrocatalysts are of pivotal importance in energy conversion and storage systems.The electro-oxidation of water to oxygen plays a crucial role in such energy conversion technologies.Herein,we report a robust method for the synthesis of a bimetallic alkoxide for efficient oxygen evolution reaction(OER)for alkaline electrolysis,which yields current density of 10 mA cm^(-2)at an overpotential of 215 mV in 0.1 M KOH electrolyte.The catalyst demonstrates an excellent durability for more than 540 h operation with negligible degradation in activity.Raman spectra revealed that the catalyst underwent structure reconstruction during OER,evolving into oxyhydroxide,which was the active site proceeding OER in alkaline electrolyte.In-situ synchrotron X-ray absorption experiment combined with density functional theory calculation suggests a lattice oxygen involved electrocatalytic reaction mechanism for the in-situ generated nickel–iron bimetal-oxyhydroxide catalyst.This mechanism together with the synergy between nickel and iron are responsible for the enhanced catalytic activity and durability.These findings provide promising strategies for the rational design of nonnoble metal OER catalysts. 展开更多
关键词 oxygen evolution reaction Nickel-iron bi-metal alkoxide Lattice oxygen-mediated reaction mechanism Alkaline electrolysis ELECTROCATALYSTS
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Steering surface reconstruction of hybrid metal oxides for efficient oxygen evolution reaction in water splitting and zinc-air batteries
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作者 Jie Zhu Junxue Chen +7 位作者 Xida Li Kun Luo Zewei Xiong Zhiyu Zhou Wenyun Zhu Zhihong Luo Jingbin Huang Yibing Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第5期383-393,共11页
Surface reconstruction yields real active species in electrochemical oxygen evolution reaction(OER)conditions;however,rationally regulating reconstruction in a targeted manner for constructing highly active OER electr... Surface reconstruction yields real active species in electrochemical oxygen evolution reaction(OER)conditions;however,rationally regulating reconstruction in a targeted manner for constructing highly active OER electrocatalysts remains a formidable challenge.Here,an electrochemical activation strategy with selective etching was utilized to guide the reconstruction process of a hybrid cobalt-molybdenum oxide(CoMoO_(4)/Co_(3)O_(4)@CC)in a favorable direction to improve the OER performance.Both in-situ Raman and multiple ex-situ characterization tools demonstrate that controlled surface reconstruction can be easily achieved through Mo etching,with the formation of a dynamically stable amorphous-crystalline heterostructure.Theoretical calculations together with experimental results reveal that the synergistic effects between amorphous CoOOH and crystalline Co_(3)O_(4) are crucial in enhancing the catalytic performance.Consequently,the reconstructed CoMoO_(4)/Co_(3)O_(4)@CC exhibits a low overpotential of 250 mV to achieve a current density of 10 mA cm^(-2) in 1 M KOH,and more importantly it can be practiced in electrolytic water splitting and rechargeable zinc-air batteries devices,achieving ultra-long stability for over 500 and 1200 h,respectively.This work provides a promising route for the construction of high-performance electrocatalysts. 展开更多
关键词 ELECTROCATALYST oxygen evolution reaction Surface reconstruction Selective etching Amorphous-crystalline heterostructures
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Valence electronic engineering of superhydrophilic Dy-evoked Ni-MOF outperforming RuO_(2) for highly efficient electrocatalytic oxygen evolution
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作者 Zhiyang Huang Miao Liao +6 位作者 Shifan Zhang Lixia Wang Mingcheng Gao Zuyang Luo Tayirjan Taylor Isimjan Bao Wang Xiulin Yang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第3期244-252,I0007,共10页
Tackling the problem of poor conductivity and catalytic stability of pristine metal-organic frameworks(MOFs) is crucial to improve their oxygen evolution reaction(OER) performance.Herein,we introduce a novel strategy ... Tackling the problem of poor conductivity and catalytic stability of pristine metal-organic frameworks(MOFs) is crucial to improve their oxygen evolution reaction(OER) performance.Herein,we introduce a novel strategy of dysprosium(Dy) doping,using the unique 4f orbitals of this rare earth element to enhance electrocatalytic activity of MOFs.Our method involves constructing Dy-doped Ni-MOF(Dy@Ni-MOF) nanoneedles on carbon cloth via a Dy-induced valence electronic perturbation approach.Experiments and density functional theory(DFT) calculations reveal that Dy doping can effectively modify the electronic structure of the Ni active centers and foster a strong electronic interaction between Ni and Dy.The resulting benefits include a reduced work function and a closer proximity of the d-band center to the Fermi level,which is conducive to improving electrical conductivity and promoting the adsorption of oxygen-containing intermediates.Furthermore,the Dy@Ni-MOF achieves superhydrophilicity,ensuring effective electrolyte contact and thus accelerating reaction kinetics,Ex-situ and in-situ analysis results manifest Dy_(2)O_(3)/NiOOH as the actual active species.Therefore,Dy@Ni-MOF shows impressive OER performance,significantly surpassing Ni-MOF.Besides,the overall water splitting device with Dy@NiMOF as an anode delivers a low cell voltage of 1.51 V at 10 mA cm^(-2) and demonstrates long-term stability for 100 h,positioning it as a promising substitute for precious metal catalysts. 展开更多
关键词 Dy@Ni-MOF Dy incorporation Electronic interaction SUPERHYDROPHILICITY oxygen evolution reaction
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Microwave shock motivating the Sr substitution of 2D porous GdFeO_(3) perovskite for highly active oxygen evolution
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作者 Jinglin Xian Huiyu Jiang +10 位作者 Zhiao Wu Huimin Yu Kaisi Liu Miao Fan Rong Hu Guangyu Fang Liyun Wei Jingyan Cai Weilin Xu Huanyu Jin Jun Wan 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第1期232-241,I0006,共11页
The incorporation of partial A-site substitution in perovskite oxides represents a promising strategy for precisely controlling the electronic configuration and enhancing its intrinsic catalytic activity.Conventional ... The incorporation of partial A-site substitution in perovskite oxides represents a promising strategy for precisely controlling the electronic configuration and enhancing its intrinsic catalytic activity.Conventional methods for A-site substitution typically involve prolonged high-temperature processes.While these processes promote the development of unique nanostructures with highly exposed active sites,they often result in the uncontrolled configuration of introduced elements.Herein,we present a novel approach for synthesizing two-dimensional(2D)porous GdFeO_(3) perovskite with A-site strontium(Sr)substitution utilizing microwave shock method.This technique enables precise control of the Sr content and simultaneous construction of 2D porous structures in one step,capitalizing on the advantages of rapid heating and cooling(temperature~1100 K,rate~70 K s^(-1)).The active sites of this oxygen-rich defect structure can be clearly revealed through the simulation of the electronic configuration and the comprehensive analysis of the crystal structure.For electrocatalytic oxygen evolution reaction application,the synthesized 2D porous Gd_(0.8)Sr_(0.2)FeO_(3) electrocatalyst exhibits an exceptional overpotential of 294 mV at a current density of 10 mA cm^(-2)and a small Tafel slope of 55.85 mV dec^(-1)in alkaline electrolytes.This study offers a fresh perspective on designing crystal configurations and the construction of nanostructures in perovskite. 展开更多
关键词 2D materials PEROVSKITE MICROWAVE ELECTROCATALYSIS oxygen evolution reaction
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Molecular-level proton acceptor boosts oxygen evolution catalysis to enable efficient industrial-scale water splitting
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作者 Yaobin Wang Qian Lu +7 位作者 Xinlei Ge Feng Li Le Chen Zhihui Zhang Zhengping Fu Yalin Lu Yang Song Yunfei Bu 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第2期344-355,共12页
Industrial water splitting has long been suppressed by the sluggish kinetics of the oxygen evolution reaction(OER),which requires a catalyst to be efficient.Herein,we propose a molecular-level proton acceptor strategy... Industrial water splitting has long been suppressed by the sluggish kinetics of the oxygen evolution reaction(OER),which requires a catalyst to be efficient.Herein,we propose a molecular-level proton acceptor strategy to produce an efficient OER catalyst that can boost industrial-scale water splitting.Molecular-level phosphate(-PO_(4))group is introduced to modify the surface of PrBa_(0.5)Ca_(0.5)Co_(2)O_(5)+δ(PBCC).The achieved catalyst(PO_(4)-PBCC)exhibits significantly enhanced catalytic performance in alkaline media.Based on the X-ray absorption spectroscopy results and density functional theory(DFT)calculations,the PO_(4)on the surface,which is regarded as the Lewis base,is the key factor to overcome the kinetic limitation of the proton transfer process during the OER.The use of the catalyst in a membrane electrode assembly(MEA)is further evaluated for industrial-scale water splitting,and it only needs a low voltage of 1.66 V to achieve a large current density of 1 A cm^(-2).This work provides a new molecular-level strategy to develop highly efficient OER electrocatalysts for industrial applications. 展开更多
关键词 oxygen evolution reaction NANOFIBER Water splitting Proton acceptor PEROVSKITE
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Nano-Au-decorated hierarchical porous cobalt sulfide derived from ZIF-67 toward optimized oxygen evolution catalysis:Important roles of microstructures and electronic modulation
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作者 Hongyu Gong Guanliang Sun +6 位作者 Wenhua Shi Dongwei Li Xiangjun Zheng Huan Shi Xiu Liang Ruizhi Yang Changzhou Yuan 《Carbon Energy》 SCIE EI CAS CSCD 2024年第5期1-14,共14页
Enhancing both the number of active sites available and the intrinsic activity of Co-based electrocatalysts simultaneously is a desirable goal.Herein,a ZIF-67-derived hierarchical porous cobalt sulfide decorated by Au... Enhancing both the number of active sites available and the intrinsic activity of Co-based electrocatalysts simultaneously is a desirable goal.Herein,a ZIF-67-derived hierarchical porous cobalt sulfide decorated by Au nanoparticles(NPs)(denoted as HP-Au@CoxSy@ZIF-67)hybrid is synthesized by low-temperature sulfuration treatment.The well-defined macroporous-mesoporous-microporous structure is obtained based on the combination of polystyrene spheres,as-formed CoxSy nanosheets,and ZIF-67 frameworks.This novel three-dimensional hierarchical structure significantly enlarges the three-phase interfaces,accelerating the mass transfer and exposing the active centers for oxygen evolution reaction.The electronic structure of Co is modulated by Au through charge transfer,and a series of experiments,together with theoretical analysis,is performed to ascertain the electronic modulation of Co by Au.Meanwhile,HP-Au@CoxSy@ZIF-67 catalysts with different amounts of Au were synthesized,wherein Au and NaBH4 reductant result in an interesting“competition effect”to regulate the relative ratio of Co^(2+)/Co^(3+),and moderate Au assists the electrochemical performance to reach the highest value.Consequently,the optimized HP-Au@CoxSy@ZIF-67 exhibits a low overpotential of 340 mV at 10 mA cm^(-2)and a Tafel slope of 42 mV dec-1 for OER in 0.1 M aqueous KOH,enabling efficient water splitting and Zn-air battery performance.The work here highlights the pivotal roles of both microstructural and electronic modulation in enhancing electrocatalytic activity and presents a feasible strategy for designing and optimizing advanced electrocatalysts. 展开更多
关键词 Au nanoparticles cobalt sulfide electronic modulation hierarchical porous structure oxygen evolution reaction
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Suppress oxygen evolution of lithium-rich manganese-based cathode materials via an integrated strategy
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作者 Wenhua Yu Yanyan Wang +5 位作者 Aimin Wu Aikui Li Zhiwen Qiu Xufeng Dong Chuang Dong Hao Huang 《Green Energy & Environment》 SCIE EI CAS CSCD 2024年第1期138-151,共14页
Improving the reversibility of anionic redox and inhibiting irreversible oxygen evolution are the main challenges in the application of high reversible capacity Li-rich Mn-based cathode materials.A facile synchronous ... Improving the reversibility of anionic redox and inhibiting irreversible oxygen evolution are the main challenges in the application of high reversible capacity Li-rich Mn-based cathode materials.A facile synchronous lithiation strategy combining the advantages of yttrium doping and LiYO_(2) surface coating is proposed.Yttrium doping effectively suppresses the oxygen evolution during the delithiation process by increasing the energy barrier of oxygen evolution reaction through strong Y–O bond energy.LiYO_(2) nanocoating has the function of structural constraint and protection,that protecting the lattice oxygen exposed to the surface,thus avoiding irreversible oxidation.As an Li^(+) conductor,LiYO_(2) nano-coating can provide a fast Li^(+) transfer channel,which enables the sample to have excellent rate performance.The synergistic effect of Y doping and nano-LiYO_(2) coating integration suppresses the oxygen release from the surface,accelerates the diffusion of Li^(+)from electrolyte to electrode and decreases the interfacial side reactions,enabling the lithium ion batteries to obtain good electrochemical performance.The lithium-ion full cell employing the Y-1 sample(cathode)and commercial graphite(anode)exhibit an excellent specific energy density of 442.9 Wh kg^(-1) at a current density of 0.1C,with very stable safety performance,which can be used in a wide temperature range(60 to-15℃)stable operation.This result illustrates a new integration strategy for advanced cathode materials to achieve high specific energy density. 展开更多
关键词 Lithium-rich manganese-based cathodes Lithium ion batteries oxygen redox oxygen evolution Integrated strategy
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Nickel Sulfide Modified NiCu Nanoalloy with Excellent Oxygen Evolution Reaction Properties Prepared through Electrospinning and Heat Treatment
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作者 李涛 凌帅 +1 位作者 ZHONG Shujie LOU Qiongyue 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2024年第2期320-326,共7页
Ni^(2+)/Cu^(2+)/SO_(4)^(2-)/polyvinyl alcohol precursor fibers with uniform diameters were prepared through electrospinning.Nickel-based composite nanoalloys containing Ni,Cu,and S were prepared through heat treatment... Ni^(2+)/Cu^(2+)/SO_(4)^(2-)/polyvinyl alcohol precursor fibers with uniform diameters were prepared through electrospinning.Nickel-based composite nanoalloys containing Ni,Cu,and S were prepared through heat treatment in an Ar atmosphere.The experimental results show that the main components of the prepared nanoalloys are NiCu,Ni_(3)S_(2),Ni,and C.The nanoalloys exhibit fine grain sizes about 200-500 nm,which can increase with increasing heat treatment temperature.Electrochemical test results show that the nickel sulfidemodified NiCu nanoalloy composites exhibit excellent oxygen evolution reaction properties,and the oxygen evolution reaction properties gradually improve with the increasing heat treatment temperature.The sample prepared at 1 000℃ for 40 min show a low overpotential of 423 mV and a small Tafel slope of 134 mV·dec^(-1) at a current density of 10 mA·cm^(-2). 展开更多
关键词 NICU NANOALLOY Ni_(3)S_(2) structure transformation oxygen evolution reaction
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Optimizing 3d spin polarization of CoOOH by in situ Mo doping for efficient oxygen evolution reaction
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作者 Zhichao Jia Yang Yuan +6 位作者 Yanxing Zhang Xiang Lyu Chenhong Liu Xiaoli Yang Zhengyu Bai Haijiang Wang Lin Yang 《Carbon Energy》 SCIE EI CAS CSCD 2024年第1期236-244,共9页
Transition-metal oxyhydroxides are attractive catalysts for oxygen evolution reactions(OERs).Further studies for developing transition-metal oxyhydroxide catalysts and understanding their catalytic mechanisms will ben... Transition-metal oxyhydroxides are attractive catalysts for oxygen evolution reactions(OERs).Further studies for developing transition-metal oxyhydroxide catalysts and understanding their catalytic mechanisms will benefit their quick transition to the next catalysts.Herein,Mo-doped CoOOH was designed as a high-performance model electrocatalyst with durability for 20 h at 10 mAcm−2.Additionally,it had an overpotential of 260 mV(glassy carbon)or 215 mV(nickel foam),which was 78 mV lower than that of IrO_(2)(338 mV).In situ,Raman spectroscopy revealed the transformation process of CoOOH.Calculations using the density functional theory showed that during OER,doped Mo increased the spin-up density of states and shrank the spin-down bandgap of the 3d orbits in the reconstructed CoOOH under the electrochemical activation process,which simultaneously optimized the adsorption and electron conduction of oxygen-related intermediates on Co sites and lowered the OER overpotentials.Our research provides new insights into the methodical planning of the creation of transition-metal oxyhydroxide OER catalysts. 展开更多
关键词 ELECTROCATALYST in situ Raman Mo-doped CoOOH oxygen evolution reaction
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Data driven computational design of stable oxygen evolution catalysts by DFT and machine learning:Promising electrocatalysts
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作者 Hwanyeol Park Yunseok Kim +1 位作者 Seulwon Choi Ho Jun Kim 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第4期645-655,共11页
The revolutionary development of machine learning(ML),data science,and analytics,coupled with its application in material science,stands as a significant milestone of the scientific community over the last decade.Inve... The revolutionary development of machine learning(ML),data science,and analytics,coupled with its application in material science,stands as a significant milestone of the scientific community over the last decade.Investigating active,stable,and cost-efficient catalysts is crucial for oxygen evolution reaction owing to the significance in a range of electrochemical energy co nversion processes.In this work,we have demonstrated an efficient approach of high-throughput screening to find stable transition metal oxides under acid condition for high-performance oxygen evolution reaction(OER)catalysts through density functional theory(DFT)calculation and a machine learning algorithm.A methodology utilizing both the Materials Project database and DFT calculations was introduced to assess the acid stability under specific reaction conditions.Building upon this,OER catalytic activity of acid-stable materials was examined,highlighting potential OER catalysts that meet the required properties.We identified IrO_(2),Fe(SbO_(3))_(2),Co(SbO_(3))_(2),Ni(SbO_(3))_(2),FeSbO_(4),Fe(SbO_(3))4,MoWO_(6),TiSnO_(4),CoSbO_(4),and Ti(WO_(4))_(2)as promising catalysts,several of which have already been experimentally discovered for their robust OER performance,while others are novel for experimental exploration,thereby broadening the chemical scope for efficient OER electrocatalysts.Descriptors of the bond length of TM-O and the first ionization energy were used to unveil the OER activity origin.From the calculated results,guidance has been derived to effectively execute advanced high-throughput screenings for the discovery of catalysts with favorable properties.Furthermore,the intrinsic correlation between catalytic performance and various atomic and structural factors was elucidated using the ML algorithm.Through these approaches,we not only streamline the choice of the promising electrocatalysts but also offer insights for the design of varied catalyst models and the discovery of superior catalysts. 展开更多
关键词 Transition metal oxides oxygen evolution reaction High-throughput screening First-principles calculation Machine learning
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Study on the Preparation,the Magnetic Performance,and the Oxygen Evolution Reaction of LaMnO_(3+δ)
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作者 Peng Fan Qirui Wu +2 位作者 Geming Wang Rahman Sheikh Tamjidur Chendong Shao 《Journal of Electronic Research and Application》 2024年第3期97-103,共7页
In this paper,a series of LaMnO_(3+δ)(LMOs)were successfully prepared by adjusting the sintering temperature using the sol-gel method with ABO3-type LMO oxides as the object of study.The results showed that with the ... In this paper,a series of LaMnO_(3+δ)(LMOs)were successfully prepared by adjusting the sintering temperature using the sol-gel method with ABO3-type LMO oxides as the object of study.The results showed that with the increase of sintering temperature,the O_(ads),oxygen vacancies,and Mn^(4+)content in the system gradually decreased,and the oxygen evolution reaction(OER)was subsequently weakened.Although the suitable Mn^(3+)/Mn^(4+)valence ratio(2.15:1)of the LMO700 sample created a strong ferromagnetic double-exchange effect,the high concentration of oxygen vacancies in LMO700 disturbed this effect and weakened its macro magnetism.This paper serves to contribute to the design and development of new magnetic perovskite electrocatalysts. 展开更多
关键词 Manganese oxides MICROSTRUCTURE Magnetic properties oxygen evolution reaction
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Light Inducing the Geometric Conversion of NiO_(6) to Trigger a Faster Oxygen Evolution Reaction Pathway:The Coupled Oxygen Evolution Mechanism
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作者 Hao Wang Siyu Lu 《Energy & Environmental Materials》 SCIE EI CAS CSCD 2023年第2期408-410,共3页
Developing highly active and robust oxygen evolution reaction(OER)electrocatalysts is still a critical challenge for water electrolyzers and metal-air batteries.Realizing the dynamic evolution of the intermediate and ... Developing highly active and robust oxygen evolution reaction(OER)electrocatalysts is still a critical challenge for water electrolyzers and metal-air batteries.Realizing the dynamic evolution of the intermediate and charge transfer during OER and developing a clear OER mechanism is crucial to design high-performance OER catalysts.Recently in Nature,Xue and colleagues revealed a new OER mechanism,coupled oxygen evolution mechanism(COM),which involves a switchable metal and oxygen redox under light irradiation in nickel oxyhydroxide-based materials.This newly developed mechanism requires a reversible geometric conversion between octahedron(NiO_(6))and square planar(NiO_(4))to achieve electronic states with both“metal redox”and“oxygen redox”during OER.The asymmetric structure endows NR-NiOOH with a nonoverlapping region between the dz^(2) orbitals and a_(1g)^(*)bands,which facilitate the geometric conversion and enact the COM pathway.As a result,NR-NiOOH exhibited better OER activity and stability than the traditional NiOOH. 展开更多
关键词 coupled oxygen evolution mechanism geometric conversion LIGHT-INDUCED oxygen evolution reaction
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Facet Engineering of Advanced Electrocatalysts Toward Hydrogen/Oxygen Evolution Reactions 被引量:3
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作者 Changshui Wang Qian Zhang +7 位作者 Bing Yan Bo You Jiaojiao Zheng Li Feng Chunmei Zhang Shaohua Jiang Wei Chen Shuijian He 《Nano-Micro Letters》 SCIE EI CAS CSCD 2023年第4期97-137,共41页
The electrocatalytic water splitting technology can generate highpurity hydrogen without emitting carbon dioxide,which is in favor of relieving environmental pollution and energy crisis and achieving carbon neutrality... The electrocatalytic water splitting technology can generate highpurity hydrogen without emitting carbon dioxide,which is in favor of relieving environmental pollution and energy crisis and achieving carbon neutrality.Electrocatalysts can effectively reduce the reaction energy barrier and increase the reaction efficiency.Facet engineering is considered as a promising strategy in controlling the ratio of desired crystal planes on the surface.Owing to the anisotropy,crystal planes with different orientations usually feature facet-dependent physical and chemical properties,leading to differences in the adsorption energies of oxygen or hydrogen intermediates,and thus exhibit varied electrocatalytic activity toward hydrogen evolution reaction(HER)and oxygen evolution reaction(OER).In this review,a brief introduction of the basic concepts,fundamental understanding of the reaction mechanisms as well as key evaluating parameters for both HER and OER are provided.The formation mechanisms of the crystal facets are comprehensively overviewed aiming to give scientific theory guides to realize dominant crystal planes.Subsequently,three strategies of selective capping agent,selective etching agent,and coordination modulation to tune crystal planes are comprehensively summarized.Then,we present an overview of significant contributions of facet-engineered catalysts toward HER,OER,and overall water splitting.In particular,we highlight that density functional theory calculations play an indispensable role in unveiling the structure–activity correlation between the crystal plane and catalytic activity.Finally,the remaining challenges in facet-engineered catalysts for HER and OER are provided and future prospects for designing advanced facet-engineered electrocatalysts are discussed. 展开更多
关键词 Crystal facet engineering ANISOTROPY oxygen evolution reaction Hydrogen evolution reaction Theoretical simulations
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Recent Advances of Transition Metal Basic Salts for Electrocatalytic Oxygen Evolution Reaction and Overall Water Electrolysis 被引量:3
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作者 Bingrong Guo Yani Ding +4 位作者 Haohao Huo Xinxin Wen Xiaoqian Ren Ping Xu Siwei Li 《Nano-Micro Letters》 SCIE EI CAS CSCD 2023年第4期238-260,共23页
Electrocatalytic oxygen evolution reaction(OER)has been recognized as the bottleneck of overall water splitting,which is a promising approach for sustainable production of H_(2).Transition metal(TM)hydroxides are the ... Electrocatalytic oxygen evolution reaction(OER)has been recognized as the bottleneck of overall water splitting,which is a promising approach for sustainable production of H_(2).Transition metal(TM)hydroxides are the most conventional and classical non-noble metal-based electrocatalysts for OER,while TM basic salts[M^(2+)(OH)_(2-x)(A_(m^(-))_(x/m),A=CO_(3)^(2−),NO_(3)^(−),F^(−),Cl^(−)]consisting of OH−and another anion have drawn extensive research interest due to its higher catalytic activity in the past decade.In this review,we summarize the recent advances of TM basic salts and their application in OER and further overall water splitting.We categorize TM basic salt-based OER pre-catalysts into four types(CO_(3)^(2−),NO_(3)^(−),F^(−),Cl^(−)according to the anion,which is a key factor for their outstanding performance towards OER.We highlight experimental and theoretical methods for understanding the structure evolution during OER and the effect of anion on catalytic performance.To develop bifunctional TM basic salts as catalyst for the practical electrolysis application,we also review the present strategies for enhancing its hydrogen evolution reaction activity and thereby improving its overall water splitting performance.Finally,we conclude this review with a summary and perspective about the remaining challenges and future opportunities of TM basic salts as catalysts for water electrolysis. 展开更多
关键词 Transition metal basic salts ELECTROCATALYTIC oxygen evolution reaction(OER) Overall water electrolysis
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Charge-transfer-regulated bimetal ferrocene-based organic frameworks for promoting electrocatalytic oxygen evolution 被引量:2
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作者 Jinsong Hu Qiaoling Xu +5 位作者 Xiaoyu Wang Xinhua Huang Chunhui Zhou Ying Ye Lei Zhang Huan Pang 《Carbon Energy》 SCIE CSCD 2023年第6期60-71,共12页
The ferrocene(Fc)-based metal-organic frameworks(MOFs)are regarded as compelling platforms for the construction of efficient and robust oxygen evolution reaction(OER)electrocatalysts due to their superior conductivity... The ferrocene(Fc)-based metal-organic frameworks(MOFs)are regarded as compelling platforms for the construction of efficient and robust oxygen evolution reaction(OER)electrocatalysts due to their superior conductivity and flexible electronic structure.Herein,density functional theory simulations were addressed to predict the electronic structure regulations of CoFc-MOF by nickel doping,which demonstrated that the well-proposed CoNiFc-MOFs delivered a small energy barrier,promoted conductivity,and well-regulated d-band center.Inspired by these,a series of sea-urchin-like CoNiFc-MOFs were successfully synthesized via a facile solvothermal method.Moreover,the synchrotron X-ray and X-ray photoelectron spectroscopy measurements manifested that the introduction of nickel could tailor the electronic structure of the catalyst and induce the directional transfer of electrons,thus optimizing the rate-determining step of^(*)O→^(*)OOH during the OER process and yielding decent overpotentials of 209 and 252 mV at 10 and 200 mA cm^(−2),respectively,with a small Tafel slope of 39 mV dec^(−1).This work presents a new paradigm for developing highly efficient and durable MOF-based electrocatalysts for OER. 展开更多
关键词 density functional theory simulations electronic structure regulation hierarchical structure metal-organic frameworks oxygen evolution reaction
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Plasma-induced Mo-doped Co_(3)O_(4)with enriched oxygen vacancies for electrocatalytic oxygen evolution in water splitting 被引量:2
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作者 Yujie Huang Meng Li +4 位作者 Fei Pan Zhuoya Zhu Huamei Sun Yawen Tang Gengtao Fu 《Carbon Energy》 SCIE CSCD 2023年第3期98-111,共14页
Heteroatomic substitution and vacancy engineering of spinel oxides can theoretically optimize the oxygen evolution reaction(OER)through charge redistribution and d-band center modification but still remain a great cha... Heteroatomic substitution and vacancy engineering of spinel oxides can theoretically optimize the oxygen evolution reaction(OER)through charge redistribution and d-band center modification but still remain a great challenge in both the preparation and catalytic mechanism.Herein,we proposed a novel and efficient Ar-plasma(P)-assisted strategy to construct heteroatom Mo-substituted and oxygen vacancies enriched hierarchical spinel Co_(3)O_(4)porous nanoneedle arrays in situ grown on carbon cloth(denoted P-Mo-Co_(3)O_(4)@CC)to improve the OER performance.Ar-plasma technology can efficiently generate vacancy sites at the surface of hydroxide,which induces the anchoring of Mo anion salts through electrostatic interaction,finally facilitating the substitution of Mo atoms and the formation of oxygen vacancies on the Co_(3)O_(4)surface.The P-Mo-Co_(3)O_(4)@CC affords a low overpotential of only 276 mV at 10 mA cm^(−2)for the OER,which is 58 mV superior to that of Mo-free Co_(3)O_(4)@CC and surpasses commercial RuO_(2)catalyst.The robust stability and satisfactory selectivity(nearly 100%Faradic efficiency)of P-Mo-Co_(3)O_(4)@CC for the OER are also demonstrated.Theoreti-cal studies demonstrate that Mo with variable valance states can efficiently regulates the atomic ratio of Co^(3+)/Co^(2+)and increases the number of oxygen vacancies,thereby inducing charge redistribution and tuning the d-band center of Co_(3)O_(4),which improve the adsorption energy of oxygen intermediates(e.g.,*OOH)on P-Mo-Co_(3)O_(4)@CC during OER.Furthermore,the two-electrode OER//HER electrolyzer equipped with P-Mo-Co_(3)O_(4)@CC as anode displays a low operation potential of 1.54 V to deliver a current density of 10 mA cm^(−2),and also exhibits good reversibility and anticurrent fluctuation ability under simulated real energy supply conditions,demonstrating the great potential of P-Mo-Co_(3)O_(4)@CC in water electrolysis. 展开更多
关键词 charge redistribution Mo‐Co_(3)O_(4) nanoneedle arrays oxygen evolution reaction oxygen vacancy water electrolysis
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Electrocatalytic oxygen evolution activities of metal chalcogenides and phosphides:Fundamentals,origins,and future strategies 被引量:1
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作者 Xiaolin Hu Ronghua Wang +2 位作者 Wenlin Feng Chaohe Xu Zidong Wei 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第6期167-191,I0006,共26页
The development of inexpensive and efficient electrocatalysts is key to commercializing energy-related electrocatalytic techniques such as water electrolyzers and metal-air batteries.In particular,novel oxygen evoluti... The development of inexpensive and efficient electrocatalysts is key to commercializing energy-related electrocatalytic techniques such as water electrolyzers and metal-air batteries.In particular,novel oxygen evolution reaction(OER)pre-catalysts,such as transition metal chalcogenides(TMCs)and phosphides(TMPs),have evolved in recent years from traditional stable OER electrocatalysts,which show superior OER electrocatalytic performance compared with transition metal oxides(TMOs)or(oxy)hydroxides(TMOHs).In this feature article,we summarize recent advances in the development of TMCand TMP-based OER electrocatalysts,as well as approaches to improve the OER performance in terms of morphology,structure,composition,surface engineering,lattice-strained and in-situ transformation in the electrolysis process.In particular,the electrochemical stability of TMCs and TMPs in alkaline electrolytes and the evolution of morphology,structure and composition under OER conditions are discussed.In the last section,we discuss the challenges that need to be addressed in this specific area of research and the implications for further research. 展开更多
关键词 oxygen evolution reaction ELECTROCATALYSIS Pre-catalysts Modulated strategies Structure-activity relationships Transition metal base compounds
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Ni_(3)Fe/Ni_(4)S_(3)/Ni/C Mixed Crystal Composite Nanofibers Prepared by Electrospinning and Heat Treatment Methods for Oxygen Evolution Reaction 被引量:1
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作者 LI Tao ZHONG Shujie +5 位作者 LOU Qiongyue LING Shuai CHEN Jian MA Guohua YANG Mao WU Xiaoqiang 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS CSCD 2023年第2期267-273,共7页
OER catalyst of Ni_(3)Fe/Ni_(4)S_(3)/Ni/C(NiFeSC series)mixed crystal composite nanofibers was prepared by electrospinning and atmospheric heat treatment process.The testing results indicate that the diameters of Ni_(... OER catalyst of Ni_(3)Fe/Ni_(4)S_(3)/Ni/C(NiFeSC series)mixed crystal composite nanofibers was prepared by electrospinning and atmospheric heat treatment process.The testing results indicate that the diameters of Ni_(3)Fe/Ni_(4)S_(3)/Ni/C composite nanofibers is about 200 nm,the grains size is about 1-3 nm,and the fiber surface is rough.The electrochemical test results show that the heterojunction of the prepared Ni_(3)Fe/Ni_(4)S_(3)/Ni/C hybrid crystal composite nanofiber has synergistic effect with sulfide,and exhibits good electrocatalytic activity of water decomposition and OER in alkaline system.The OER electrocatalytic performance of Ni_(3)Fe/Ni_(4)S_(3)/Ni/C composite electrode prepared via a heat treatment at 1000℃process was tested in 1 mol/L KOH electrolytes.The results show that the overpotential is about 298 mV,the Tafel slope is about 74 mV?dec-1,and the surface resistance is about 1.69Ω·cm^(2),at the current density of 10 mA·cm^(-2). 展开更多
关键词 mixed crystal composite material NANOFIBER NiFeSC oxygen evolution reaction(OER)
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