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Self-supported metal aerogel electrocatalysts for oxygen reduction reaction:Opportunities and challenges 认领 引用 被引量：1
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作者 Shaik Gouse Peera Shaik Ashmath +3 位作者 Seung Won Kim Tae-Gwan Lee Myunghwan Byun Chao Liu 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2026年第5期1685-1710,共26页
The development of highly active and stable electrocatalysts for the oxygen reduction reaction(ORR)remains a challenging task for improving the efficiency of fuel cells.Although Pt and Pt-transition metal alloy-based ... The development of highly active and stable electrocatalysts for the oxygen reduction reaction(ORR)remains a challenging task for improving the efficiency of fuel cells.Although Pt and Pt-transition metal alloy-based catalysts stand out as practical choices,they suffer from poor Pt utilization and stability.In this regard,highly electrically conducting,purely metallic,hierarchical 3D-porous,and nanowire aerogels as self-supported electrocatalysts have gained interest in recent decades.Metal aerogels are regarded as efficient catalytic materials,especially for electrocatalysis,as they integrate the unique features of both metallic and porous aerogels.In this review,we provide an overview of the recent progress in metal aerogel catalysts for ORR.Metal aerogel catalysts exhibit excellent ORR activity due to their high intrinsic activity arising from excellent Pt utilization and the exposure of active sites due to their metallic nature.Owing to their high Pt utilization,several noble metal aerogel catalysts were found to exhibit higher mass activity than traditional Pt/C catalysts and a mass activity target of 440 A per g Pt at 0.9 V vs.RHE,suggesting the high potential of metal aerogels as ORR catalysts in fuel cells.Herein,we summarize the recent benchmark research outcomes of metal aerogel catalysts for the ORR,their effects on the microstructure of catalyst layers,fuel cell performance,and cutting-edge modifications of recently reported metal aerogel catalysts.We systematically review the various aspects of metal aerogel catalyst synthesis,their advantages over traditional Pt/C catalysts,and ORR kinetics,and provide future research directions and recommendations to further improve and integrate metal aerogel catalysts into realistic fuel cells. 展开更多
关键词 oxygen reduction reaction electrocatalysts self-supported catalysts metal aerogels mass activity
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Structure design of oxide path mechanism-based electrocatalysts for enhanced oxygen evolution reaction performance 认领 引用 被引量：1
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作者 Jin Yang Shengbo Sang Meiling Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2026年第2期464-483,I0011,共20页
The oxygen evolution reaction(OER)suffers from sluggish kinetics,necessitating efficient electrocatalysts to reduce overpotentials in water splitting.Currently recognized OER mechanisms primarily include the adsorbate... The oxygen evolution reaction(OER)suffers from sluggish kinetics,necessitating efficient electrocatalysts to reduce overpotentials in water splitting.Currently recognized OER mechanisms primarily include the adsorbate evolution mechanism(AEM),lattice oxygen mechanism(LOM),and oxide path mechanism(OPM).Compared to AEM,limited by scaling relationships,and LOM,constrained by stability issues,the OPM offers a promising alternative by enabling direct O-O bond formation via dual active sites,thus bypassing*OOH intermediates and lattice O involvement and achieving a balance between activity and durability.However,activating the OPM process requires precise control over the spatial and electronic structure of active sites,making the design of OPM-based catalysts challenging.While previous reviews have focused on homo/heteronuclear diatomic perspectives of OPM-based catalysts,it is urgent to systematically summarize design strategies to provide a rational reference for their development.Herein,a review of design strategies for OPM-based OER catalysts across three scales is comprehensively presented,including in-situ engineering,doping-enabled sites reconstruction,and introducing new sites for nanoparticles,direct synthesis or post-treatments for molecular catalysts,and doping or template strategies for atom pairs or arrays.The unique advantage of atom arrays is also highlighted,and their future research directions and possible strategies are discussed.This review provides a systematic summary and forward-looking perspectives for rationally designing high-performance OPM-based OER catalysts. 展开更多
关键词 Oxygen evolution reaction Oxide path mechanism Dual sites Nanoparticle catalysts Molecular catalysts Atom arrays Design strategies
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Tailoring the Coordination Environment of Single-Atom Catalysts for Enhanced Electrochemical CO2-to-CO Conversion Efficiency 认领 引用 被引量：1
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作者 Xiaoyan Zhang Rui Gao +4 位作者 Zhen Zhang Dezhang Ren Haibo Li Ming Feng Zhongwei Chen 《Carbon Energy》 SCIE EI CAS CSCD 2026年第3期68-75,共8页
Exploring the influence of the coordination environment of single-atom catalysts(SACs)on the electrochemical CO2reduction reaction is vital for assessing the reaction mechanism and structure-performance relationshi... Exploring the influence of the coordination environment of single-atom catalysts(SACs)on the electrochemical CO2reduction reaction is vital for assessing the reaction mechanism and structure-performance relationship.However,it is challenging to engineer the coordination configuration of isolated active metal atoms precisely.Herein,we strategically manipulate the coordination number of the Co-Nx configuration by simply changing the order of adding the metal precursor toward improved CO2electrolysis performance.Compared with the symmetric Co-N4coordination,the asymmetric Co-N3coordination leads to reinforced Co-N interaction and downshifted 3d orbital energy toward the Fermi level of the active Co sites,promoting the activation of CO2molecules and the formation of critical intermediate*COOH.The as-designed Co-N3SAC displays excellent Faradaic efficiency(FE)of 98.4%for CO2-to-CO conversion at a low potential of-0.80 V,together with decent FE over a wide potential range(-0.50 V to-1.10 V)and high durability.This study presents an ideal platform to manipulate the coordination number of atomically dispersed metal catalysts and provides a fundamental understanding of coordination configurationperformance correlation for CO2electroreduction. 展开更多
关键词 carbon dioxide reduction coordination number electrocatalysis single atom catalyst
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Dynamic evolution of copper-based catalysts during CO2 electroreduction 认领 引用 被引量：2
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作者 Zhizheng Wu Pengpeng Yang Minrui Gao 《Nano Materials Science》 EI CAS CSCD 2026年第3期687-702,共16页
The CO2 electroreduction reaction(CO2RR)is a promising approach of using renewable electricity to synthesize fuels and value-added chemicals.At present,Cu is generally considered to be the major monometallic cat... The CO2 electroreduction reaction(CO2RR)is a promising approach of using renewable electricity to synthesize fuels and value-added chemicals.At present,Cu is generally considered to be the major monometallic catalyst capable of producing multicarbon products(C2+)with high current densities from the CO2RR,but it still suffers from the low activity and high overpotential.The challenge of sluggish CO2RR kinetics can be overcome by developing efficient Cu-based catalysts,which undergo the dynamic evolution during the reaction process.The dynamic evolution of the Cu-based catalysts taking place under working conditions makes it difficult to study the structure-activity correlation and reaction mechanism present during CO2RR.Recently,a number of important works have observed and revealed the dynamic evolution process of Cu-based catalysts by operando characterization techniques.This aspect,however,remains less summarized and prospected in the CO2RR literature.In this Review,we summarize the dynamic evolution of Cu-based catalysts during the CO2RR from aspects of structure,composition and oxidation state.We highlight the correlations between evolution behaviors and catalytic properties.Then,we discuss the dynamic deactivation process of Cu-based catalysts during CO2RR,including metal impurities contamination and carbon accumulation.In particular,we introduce recent advancements in in situ characterization techniques those are employed to probe the dynamic evolution under operating conditions.We end the Review by outlining the challenges and offering personal perspectives on the future development opportunities in this field. 展开更多
关键词 Copper-based catalysts CO2electroreduction reaction Dynamic evolution
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Rare-earth modification optimizes porous Fe-N-C catalysts to boost oxygen reduction reaction for Zn-air batteries 认领 引用 被引量：1
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作者 Jiao Yang Jiayi Cui +2 位作者 Yujuan Zhuang Jianmin Yu Lishan Peng 《Journal of Rare Earths》 SCIE EI CAS CSCD 2026年第2期569-576,共8页
Fe-N-C electrocatalysts have garnered significant interest for their effectiveness in the oxygen reduction reaction.However,optimizing the local coordination of Fe sites and achieving a high density of accessible acti... Fe-N-C electrocatalysts have garnered significant interest for their effectiveness in the oxygen reduction reaction.However,optimizing the local coordination of Fe sites and achieving a high density of accessible active sites continue to present considerable challenges.In this work,we introduced lanthanum(La)into the Fe-N-C catalyst via a multi-step process combining ion adsorption and pyrolysis,resulting in a Lamodified,porous Fe-N-C catalyst(FeLaDA-NC).The incorporation of La enhances the intrinsic catalytic properties of Fe centers,while the optimized synthesis method increases the density of available FeNx active sites.The FeLaDA-NC catalyst exhibits remarkable ORR activity,with a half-wave potential of 0.88 V,alongside excellent stability and methanol tolerance,outperforming commercial Pt/C catalysts.When using the FeLaDA-NC as ORR catalyst,the zinc-air battery demonstrates an impressive peak power density of 173.2 mW/cm2,highlighting the advantages of tailoring the coordination of Fe-N-C catalysts.This study highlights the promising potential of rare-earth modification in advancing the catalytic performance of Fe-based electrocatalysts. 展开更多
关键词 Rare earths FeNxactive site Single-atom catalyst ORR
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Machine learning accelerates the design and discovery of single-atom catalysts for electrochemical reactions 认领 引用
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作者 Shiyan Wang Chaopeng Liu +5 位作者 Weiyao Hao Xianjun Zhu Xianghong Niu Dongwei Ma Longlu Wang Qiang Zhao 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2026年第4期347-371,I0009,共25页
Single-atom catalysts(SACs)stand at the forefront of catalysis research,attributable to their distinctive electronic structure,maximized atomic utilization,and exceptional catalytic performance,making them highly prom... Single-atom catalysts(SACs)stand at the forefront of catalysis research,attributable to their distinctive electronic structure,maximized atomic utilization,and exceptional catalytic performance,making them highly promising for renewable energy and sustainable energy conversion applications.However,their complex design parameters—including metal active sites,coordination environments,and substrate interactions—pose significant challenges for traditional experimental and computational approaches.These limitations hinder the systematic understanding of structure-property relationships in SACs.Machine learning(ML)offers a powerful alternative,enabling rapid screening and rational design by uncovering hidden patterns in high-dimensional catalyst data.This review summarizes recent advances in applying ML to the design and discovery of SACs.First,we analyze and summarize the recent trends and representative works in ML applications for SACs research.Next,a systematic workflow is proposed to guide researchers through ML-assisted SACs discovery,from data engineering to model application.We then showcase ML's impact on critical catalytic reactions—CO2RR,HER,NRR,and ORR/OER—demonstrating its ability to uncover high-performance catalysts.Finally,we discuss challenges and future directions for integrating ML with SAC research,aiming to inspire innovative solutions and interdisciplinary collaboration.By bridging ML and catalysis,this review provides researchers with a practical roadmap to expedite the advancement of SACs. 展开更多
关键词 Machine learning Single-atom catalysts Catalysts design Catalysts discovery Electrochemical reactions
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Impact of residual ions on catalyst structure and catalytic performance:A review 认领 引用
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作者 Yaofei Zhang Jiani Chen +4 位作者 Haotian Hu Jianghua Huang Jiafeng Wei Fukun Bi Xiaodong Zhang 《Chinese Chemical Letters》 SCIE CAS CSCD 2026年第3期82-92,共11页
Residual ions introduced during catalyst synthesis can significantly impact both the structure and performance of the catalyst.Despite their crucial role,the effects of these residual ions are frequently overlooked in... Residual ions introduced during catalyst synthesis can significantly impact both the structure and performance of the catalyst.Despite their crucial role,the effects of these residual ions are frequently overlooked in catalyst design and optimization.This review systematically surveys the characteristics and sources of typical residual ions in catalytic systems,including halogen anions,acidic anions,and alkali metal cations.It also examines their impact on both the supports and active metals of supported catalysts,as well as the alterations in surface,crystal structure,and chemical states of non-supported catalysts.The effects of residual ions on the performance of these catalysts in catalytic reactions such as oxidation and hydrogenation are discussed in detail.Additionally,the influence mechanism of residual ions on the catalysts is further explored,with a focus on their promotion and inhibition roles in catalytic processes,thus providing insights for the development of more efficient and durable catalysts.A summary finally provides an outlook on future approaches to advance catalyst preparation and mitigate the adverse effects of residual ions in catalysis. 展开更多
关键词 Residual ions Catalyst structure Catalytic performance Catalyst preparation Influence mechanism
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Oligomeric α-diimine nickel catalysts for enhanced ethylene polymerization 认领 引用
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作者 Jingfeng Yue Zhenxin Tang +1 位作者 Yuxing Zhang Zhongbao Jian 《Chinese Chemical Letters》 SCIE CAS CSCD 2026年第1期380-384,共5页
Catalysts are key for olefin polymerization reactions and are also ubiquitous in catalysis science.Multinuclear metal catalysts have witnessed enhanced performances in catalytic reactions relative to mononuclear catal... Catalysts are key for olefin polymerization reactions and are also ubiquitous in catalysis science.Multinuclear metal catalysts have witnessed enhanced performances in catalytic reactions relative to mononuclear catalysts,but which substantially involve multi-step,tedious,and difficult synthesis.Herein,this study reports an intriguing approach to construct multi-nuclear catalysts for the milestoneα-diimine nickel catalysts using an oligomeric strategy.A polymerizable norbornene unit is incorporated into theα-diimine ligand backbone,leading to the formation of the monomeric nickel catalyst Ni1and its corresponding oligomeric nickel catalysts(Ni3and Ni5)with varying degrees of polymerization(DP=3 and 5).Notably,the oligomeric catalyst Ni5was facilely scaled up(50 g-level),showed enhanced thermal stability,exhibited 4.6 times higher activity,and yielded polyethylene elastomer with a 379%increased molecular weight in ethylene polymerization,compared to the monomeric catalyst Ni1.Catalytic performance enhancements of oligomeric catalysts were found to be DP-dependent.The kilogram-scale polyethylene,produced using Ni5in a 20 L reactor,presented a highly branched all-hydrocarbon structure,which demonstrated typical elastic properties(tensile strength:4 MPa,elastic recovery:SR=72%)along with great processability(MFI=3.0 g/10 min),insulating characteristics(volume resistivity=2×1016Ω/m),and hydrophobicity(water vapor permeability:0.03 g/m2/day),suggesting potentially practical applications. 展开更多
关键词 Polyolefin Oligomeric catalyst Polyethylene elastomer Ethylene polymerization Nickel catalyst
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A tunable and universal catalyst for efficient one-pot conversion of xylose toγ-valerolactone 认领 引用
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作者 Qiwen Zhan Ruonan Zhu +4 位作者 Qingchong Xu Xingjie Wang Lihong Zhao Fengxia Yue Junli Ren 《Green Energy & Environment》 SCIE EI CAS CSCD 2026年第3期784-791,共8页
The one-pot synthesis ofγ-valerolactone(GVL)from xylose is crucial for the production of sustainable biofuels and fine chemicals.This study introduces a novel catalyst,Hf-LS-Beta,which is tailored for efficient xylos... The one-pot synthesis ofγ-valerolactone(GVL)from xylose is crucial for the production of sustainable biofuels and fine chemicals.This study introduces a novel catalyst,Hf-LS-Beta,which is tailored for efficient xylose conversion to GVL,subsequently applied in a tandem process for wheat straw pre-hydrolysate catalysis.The catalyst features dispersed Lewis acid active sites formed through Hf and lignosulfonate sodium(LS)coordination within the Beta porous structure,enhancing accessibility.Both the structure and acidic properties of the catalyst were tunable by varying precursor dosages,with optimal performance achieved at a total Lewis acid content of 118–128μmol g-1and a specific surface area of 171–186 m2g-1.Under optimized conditions,the Hf(1.5)-LS-Beta(0.4)catalyst delivered the highest GVL yield of 45.71%from xylose and maintained high stability over five cycles.Furthermore,a GVL yield of 29.37%was attained from xylose-rich hydrolysate from wheat straw.This catalyst achieves record-high xylose conversion in isopropanol,efficiently promoting cascade reactions involving dehydration,hydrogenation,ring-opening,and lactonization for GVL formation.Substrate versatility was also demonstrated with the successful conversion of glucose and arabinose,indicating the strong potential for integrated two-step GVL production from lignocellulosic biomass. 展开更多
关键词 Xylose Catalysis Hf-based catalyst γ-Valerolactone
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Explainable AI-driven design rules for syngas-to-C5+liquid fuels over cobalt catalysts 认领 引用
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作者 Bo Wang Peipei Zhang +5 位作者 Yingluo He Xiaobo Feng Guangbo Liu Xiaoyu Guo Guohui Yang Noritatsu Tsubaki 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2026年第2期48-60,I0003,共13页
The production of liquid fuels from syngas can help alleviate energy supply challenges,support carbon neutrality,and address climate change.However,this process involves considerable complexity due to the interplay of... The production of liquid fuels from syngas can help alleviate energy supply challenges,support carbon neutrality,and address climate change.However,this process involves considerable complexity due to the interplay of multiple influencing factors,including feedstock characteristics,catalyst properties,and reaction conditions.To facilitate process optimization,we developed a machine learning model to predict CO conversion and C5+selectivity based on key input descriptors,A dataset of 236 entries was compiled from existing literature,enabling data mining to identify the importance of reaction temperature,reduction degree,and cobalt loading.Analysis revealed that higher C5+selectivity is achieved at lower temperatures(<240℃)and moderate cobalt loading(~20%).Additionally,it was found that excessively small cobalt particles(<6 nm)negatively impact C5+selectivity due to increased methane formation and decreased active sites stability at the nanoscale.The proposed framework is entirely data-driven and interpretable,incorporating Permutation Importance(PI),Shapley Additive Explanations(SHAP),and Partial Dependence Plot(PDP),a game theory-based interpretation approach to isolate and analyze the effects of individual and paired descriptors,thereby offering valuable theoretical insights for guiding experimental research. 展开更多
关键词 Fischer-Tropsch synthesis Artificial intelligence Cobalt-based catalysts Feature analysis
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Carbon nitride supported copper catalyst activating peroxydisulfate for efficient paracetamol degradation 认领 引用
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作者 Nan Huang Ya-Lan Xu +3 位作者 Wen-Long Wang Yan-lin Chen Qian-Yuan Wu Hong-Ying Hu 《Journal of Environmental Sciences》 SCIE EI CAS CSCD 2026年第7期186-197,共12页
The heterogeneous Fenton-like reaction with peroxydisulfate(PDS)is a highly promising technology for the degradation of pharmaceuticals and personal care products(PPCPs).It does not require a light or heat source,has ... The heterogeneous Fenton-like reaction with peroxydisulfate(PDS)is a highly promising technology for the degradation of pharmaceuticals and personal care products(PPCPs).It does not require a light or heat source,has a broader pH applicability,and does not cause secondary pollution or catalyst loss.In this study,we synthesized a highly dispersed Cu-doped graphitic carbon nitride catalyst(Cu/C3N4).Catalyst characterization results confirmed that the main pore size ranged from 0 to 4 nm,and Cu(Ⅰ)and Cu(Ⅱ)were highly uniformly dispersed onto the graphitic carbon nitride matrix.The Cu/C3N4 catalyst exhibited superior performance in activating PDS for paracetamol degradation under neutral pH conditions,achieving a catalytic efficiency of 7.82 L/(min·g-Cu).No obvious decrease in the paracetamol removal rate was observed over the eight successive cycles,indicating extraordinary reusability of the Cu/C3N4 catalyst.The removal efficiency of paracetamol in secondary effluent and river water was inhibited due to the influence of inorganic ions and organic matter,but approximately 80% paracetamol removal was still achieved in actual waters within 30 min.Radical quenching and electron spin-resonance spectroscopy results indicated that radical pathways(mainly SO4•−)and nonradical pathways(singlet oxygen and mediated electron transfer)were the main degradation mechanisms.The transformational products identified by HPLC-QTOF-MS were mainly p-nitrophenol,hydroquinone,p-benzoquinone,butanediol,and glycerol.This study provides insights into the performance and mechanisms of Cu/C3N4/PDS oxidation for paracetamol degradation,highlighting its potential for PPCPs removal and sustainable water reclamation. 展开更多
关键词 Cu-based catalyst Graphitic carbon nitride Peroxydisulfate Paracetamol Reactive species
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Preparation of spindle-like KxCoyOδ/CeO2catalysts and their catalytic performance for soot combustion 认领 引用
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作者 Siyu Gao Xinyu Chen +7 位作者 Xinyu Zhang Siyuan Chen Di Yu Chunlei Zhang Lanyi Wang Xiaoqiang Fan Xuehua Yu Zhen Zhao 《Journal of Rare Earths》 SCIE EI CAS CSCD 2026年第4期1101-1112,I0004,共12页
Diesel engines are widely used in automobiles,ships,and other fields because of their good economy and power performance;however,the use of diesel engines is often accompanied by the production of the soot particles,w... Diesel engines are widely used in automobiles,ships,and other fields because of their good economy and power performance;however,the use of diesel engines is often accompanied by the production of the soot particles,which can cause significant harm to the environment and humans;thus,catalytically eliminating soot particles is of great significance.A series of spindle-like CeO2catalysts loaded with different contents of K and Co mixed oxides(KxCoyOδ/CeO2)was successfully prepared via hydrothermal and incipient wetness methods.Due to the loading of K and Co mixed oxides on the surface of CeO2,the KxCoyOδ/CeO2catalysts have abundant oxygen vacancies,good redox performance,and NO oxidation ability.At the same time,the KxCoyOδ/CeO2catalysts have a special spindle-like morphology that helps the catalyst generate an increased number of active sites and oxygen vacancies;therefore,they have excellent catalytic performance for soot combustion reaction,including activity,stability,and water and sulfur resistance.Among them,the K0.05Co0.05Oδ/CeO2catalyst has the highest soot combustion activity,with T10,T50,and T90values of 287,325,and 349℃,respectively.Due to the excellent catalytic performance,as well as the easy availability and low cost of the raw materials,the KxCoyOδ/CeO2catalysts have good development prospects in the field of catalytic soot elimination. 展开更多
关键词 Cerium-based oxides Spindle-like morphology Catalysts Soot combustion Rare earths
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Unveiling structure-performance relationships in HER catalysts for sustainable and scalable hydrogen production 认领 引用
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作者 Anna Kityk Behzad Sadeghi +2 位作者 Viliam Pavlik Miroslav Hnatko Martin Balog 《Materials Reports(Energy)》 EI 2026年第2期60-87,共28页
The hydrogen evolution reaction(HER)is a crucial electrochemical process for producing clean hydrogen,providing a sustainable pathway to decarbonize energy systems and mitigate the impacts of climate change.Designing ... The hydrogen evolution reaction(HER)is a crucial electrochemical process for producing clean hydrogen,providing a sustainable pathway to decarbonize energy systems and mitigate the impacts of climate change.Designing next-generation HER electrocatalysts with high activity,durability,and scalability relies on a fundamental understanding of how atomic structure,surface defects,and interfacial properties govern catalytic performance.Recent advances in tailored synthesis,in situ and operando characterization,and comprehensive electrochemical evaluation have provided deeper insights into catalyst behavior under realistic conditions.In parallel,theoretical tools such as density functional theory,machine learning,and multiscale modeling have accelerated the discovery of active sites,reaction pathways,and structure-property relationships.This review critically examines these developments across a wide range of materials,including noble metals,transition metal compounds,carbon-based systems,and single-atom catalysts,highlighting sustainable design strategies for resource efficiency and reduced environmental impact.By bridging atomic-scale insights with practical implementation,this work outlines key challenges and opportunities to guide the development of HER electrocatalysts that support green hydrogen production and contribute directly to sustainable energy systems.The perspective presented aims to inspire materials scientists,engineers,and policymakers to advance hydrogen technologies that align with global sustainability goals. 展开更多
关键词 Hydrogen evolution reaction Density functional theory Machine learning Atomic-scale characterization Catalyst activity and stability Catalyst design
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Promotion effect of Fe in the selective hydrogenation of furfural with bimetallic NiFe catalysts 认领 引用
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作者 Xin Liu Yezhou Yang +2 位作者 Jingru Yang Maodi Wang Qihua Yang 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第4期411-418,共8页
The selective hydrogenation of furfural(FAL)to furfuryl alcohol(FOL)over Ni catalysts offers a sustainable route for biomass valorization.However,the conventional Ni catalysts suffer from poor selectivity in FAL hydro... The selective hydrogenation of furfural(FAL)to furfuryl alcohol(FOL)over Ni catalysts offers a sustainable route for biomass valorization.However,the conventional Ni catalysts suffer from poor selectivity in FAL hydrogenation.Herein,we report that the moderate Fe doping in Ni/TiO2 significantly enhances selectivity without compromising catalytic activity for the selective hydrogenation of FAL to FOL.Notably,Ni/Fe-TiO2 catalyst with Fe content≥4.9 wt% maintained>90%selectivity toward FOL at nearly 100% conversion,whereas Ni/TiO2 achieved only 38% under the identical condition.Combined experimental and theoretical studies revealed that the enhanced catalytic performance of Ni/Fe-TiO2 originates from the dilution of contiguous Ni sites by Fe,which suppresses the further hydrogenation of FOL.Moreover,Fe sites exhibited a stronger affinity for carbonyl groups compared to Ni(0),indicating complementary role where Ni(0)primarily facilitates H2 dissociation,while Fe sites play a critical role in carbonyl activation.These findings underscore the superior synergistic effect of bimetallic systems in promoting selective functional group transformation. 展开更多
关键词 Bimetallic catalysts Synergistic effect Selective hydrogenation Carbonyl groups
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Metal-based bifunctional Pt single-atom catalyst for boosting low-temperature hydrogen gas proton battery 认领 引用
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作者 Jianhua Zhang Bofeng Zhang +5 位作者 Wenjie Li Kai-Ling Zhou Ziwei Ma FengLei Li Hao Wang Hui Yan 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2026年第6期214-223,I0007,共10页
The development of high-performance bifunctional anode catalysts for hydrogen gas proton batteries(HGPBs)is pivotal to advancing low-temperature energy storage technologies.Nevertheless,conventional catalysts still en... The development of high-performance bifunctional anode catalysts for hydrogen gas proton batteries(HGPBs)is pivotal to advancing low-temperature energy storage technologies.Nevertheless,conventional catalysts still encounter enduring challenges related to structural stability and electrochemical reaction kinetics when employed in HGPBs.This study addresses this challenge by designing a platinum single-atom catalyst anchored on an amorphous Fe Ni PB alloy support(PtSA@Fe Ni PB).This catalyst exhibits exceptional bifunctional activity toward hydrogen evolution/oxidation reactions(HER/HOR)in acidic media,featuring an ultralow overpotential of 51 m V at 100 m A cm-2 for HER and a high exchange current density of 750 m A mgPt-1 for HOR,thus outperforming conventional catalysts.When integrated into hydrogen gas proton batteries as the anode,the PtSA@Fe Ni PB-based HGPBs deliver exceptional lowtemperature capacity retention(91.37%after 1000 cycles at-40℃)and robust rate capability over a wide temperature range(-40–25℃),thereby significantly outperforming conventional Pt/C-based anode systems.In situ testing combined with density functional theory(DFT)calculations reveals that strong metal-support interactions(SMSIs)induce electronic structure redistribution,triggering electron transfer from Fe/Ni species to Pt single atoms(0.5 electrons).This electronic modulation effect optimizes both the energy band structure of the catalyst and the hydrogen adsorption free energy(ΔGH*=-0.015 e V),which is close to the thermoneutral point(ΔGH*=0 e V)and thus favorable for HER/HOR kinetics.This work provides a viable strategy for designing cost-effective,durable catalysts to enable highperformance hydrogen-based energy storage systems under practical conditions. 展开更多
关键词 Hydrogen gas proton battery Bifunctional catalyst Single-atom Amorphous alloy
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Study on the deactivation mechanism of mercury chloride catalyst employed for polyvinyl chloride production 认领 引用
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作者 Jiefeng Chen Wei Liu +6 位作者 Wei Zheng Mingguang Zhang Lijian Leng Zequn Yang Wenqi Qu Jianping Yang Hailong Li 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2026年第3期26-36,共11页
Mercury chloride catalyst is widely employed for the polyvinyl chloride(PVC)production in China,whereas the catalyst deactivation mechanism which is crucial for the design,regeneration,and disposal of deactivated cata... Mercury chloride catalyst is widely employed for the polyvinyl chloride(PVC)production in China,whereas the catalyst deactivation mechanism which is crucial for the design,regeneration,and disposal of deactivated catalyst is still unclear.Herein,the physical and chemical characteristics of fresh and deactivated catalysts were systematically investigated.The results show that chlorinated organic compounds,including 2-chloromethyl-1,3-dichloro-2-methylpropane(C5H9Cl3),1,3,3-trichloro-2-methyl-4-pentanone(C6H9Cl3O),and 1,3-dichloro-2-butene(C4H6Cl2),were identified as the dominant constituents of deposited carbon,which caused pore blockage and active site coverage.The content and species of mercury on the catalyst were changed after deactivation.The mercury content on the deactivated catalyst was decreased from 3.73%(mass)to 1.47%(mass).Nonlabile organic and elemental mercury instead of crystalline oxide-bound mercury dominate the mercury species on deactivated catalyst.The thermal stability of mercury species on the deactivated catalyst was reduced,in which the desorption peak temperature was decreased from 310℃to 285℃.The content of other active components,including potassium,zinc,and copper chlorides,also declined.These findings offer critical insights for the design of mercury chloride catalyst and the development of deactivated catalyst regene ration or disposal technologies. 展开更多
关键词 Mercury chloride catalyst Deactivation Mercury species distribution Carbon deposition
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Subnanometer molybdenum oxide-stabilized platinum nanocatalysts enable efficient hydrogen production from methylcyclohexane 认领 引用
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作者 Shenghui Zhou Zheng Wang +7 位作者 Voon Huey Lim Chi Cheng Chong Hossein Akhoundzadeh Chao Wu Mohammadreza Kosari Shibo Xi Markus Kraft Rong Xu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第1期347-357,共11页
Methylcyclohexane(MCH)stands out as a leading liquid organic hydrogen carrier(LOHC)due to its favorable hydrogen storage capacity and transportability.Despite its potential,advancing catalysts that combine high effici... Methylcyclohexane(MCH)stands out as a leading liquid organic hydrogen carrier(LOHC)due to its favorable hydrogen storage capacity and transportability.Despite its potential,advancing catalysts that combine high efficiency,cost-effectiveness,and durability for MCH dehydrogenation to produce hydrogen remains a critical challenge hindering large-scale industrial deployment.Herein,we report the synthesis of highly dispersed and stable bimetallic Pt-MoOxnanoparticles immobilized onγ-Al2O3.The introduction of MoOxspecies significantly improves the stability of Pt and results in a high toluene(TOL)selectivity of 99.8%with MCH conversion of 99.5%and a high hydrogen evolution rate of 470.5 mmol·gPt-1·min-1at 340℃.Moreover,the optimal catalyst exhibits a remarkable long-term stability,with no evident loss of activity in 140-h dehydrogenation reaction at a weight hourly space velocity of 11.7 h^(-1).Through detailed in-situ structure analyses,it was revealed that the introduction of subnanometer MoOxspecies facilitates the generation of ultrafine Pt nanoparticles with improved resistance to sintering,resulting in enhanced catalytic activity and durability of the noble metal.Furthermore,in-situ spectroscopic characterization demonstrates the positively charged Ptδ+species promote the rapid desorption of TOL products.The excellent catalytic performance including high conversion and selectivity and superior stability offers great opportunities for their practical applications in LOHC technologies. 展开更多
关键词 Liquid organic hydrogen carriers Hydrogen production Methylcyclohexane Dehydrogenation Pt-Mo catalyst
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Design strategies and recent advances in cellulasemimetic solid acid catalysts 认领 引用
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作者 WANG Youhua CAO Shuling +4 位作者 LONG Tianyi ZOU Chuanjun CHENG Xu ZHU Wanbin WANG Hongliang 《燃料化学学报（中英文）》 EI CAS CSCD 北大核心 2026年第5期76-86,共11页
The dense crystalline structure and limited accessibility of cellulose severely hinder its efficient catalytic conversion.In response,biomimetic solid acid catalysts inspired by cellulase binding domains(CBDs)have eme... The dense crystalline structure and limited accessibility of cellulose severely hinder its efficient catalytic conversion.In response,biomimetic solid acid catalysts inspired by cellulase binding domains(CBDs)have emerged as a promising strategy to enhance cellulose hydrolysis by mimicking the substrate recognition and enrichment functions of natural enzymes.This review systematically summarizes recent advances in the design of CBD-mimetic solid acids based on four representative strategies:electrostatic anchoring,hydrophobic microenvironment engineering,spatial confinement and covalent lock-and-key mechanisms.The underlying principles of these approaches,including substrate-specific recognition,local concentration enhancement,and synergistic“adsorption-catalysis”effects,are critically discussed to elucidate their contributions in improving catalytic affinity,selectivity,and durability.Despite significant progress,challenges such as mass-transfer resistance and insufficient structural robustness remain in complex biomass conversion systems.Looking forward,the integration of sub-enzymatic materials,such as carbon quantum dots(CQDs),into biomimetic catalysts offers new opportunities to achieve efficient,recyclable and hierarchically organized catalytic systems,thereby providing a powerful route for the sustainable valorization of cellulose and other lignocellulosic resources. 展开更多
关键词 biomimetic cellulase solid acid catalyst binding domain biomass conversion
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Rational design of bifunctional catalysts for hydrocracking of polyethylene waste plastics to narrow-distributed liquid fuels 认领 引用
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作者 Zhe Ma Chenzhao Wang +3 位作者 Peng Xu Xin Zhou Xiang Feng De Chen 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 2026年第3期42-60,共19页
Upcycling of waste polyethylene into liquid fuels with a narrow molecular-weight distribution presents significant potential for advancing the circular economy.Compared to pyrolysis and catalytic cracking,hydrocrackin... Upcycling of waste polyethylene into liquid fuels with a narrow molecular-weight distribution presents significant potential for advancing the circular economy.Compared to pyrolysis and catalytic cracking,hydrocracking using bifunctional catalysts offers distinct advantages such as lower reaction temperatures,higher product saturation,reduced CO2 emissions,and effective heteroatom removal.These benefits position it as a highly promising route for plastic waste valorization.Nevertheless,the intricate reaction mechanisms have hindered the clear understanding on structure-performance relationship.Therefore,the rational design and synthesis of catalysts optimized for specific target products remain a critical challenge.This review focuses on the precise regulation of bifunctional catalyst microstructures(including metal dispersion,metal activity,acid activity,and metal-acid distance)in polyethylene hydrocracking,and further elucidates the structure-performance relationship between catalyst and product selectivity.To better understand the catalyst design strategies,hydrocracking mechanism over bifunctional catalysts is firstly introduced.Next,progress in research to understand the metal sites and acid sites of bifunctional catalysts will be presented.The hydrocracking activities of bifunctional catalysts will also be investigated to demonstrate the metal-acid balance.Finally,the current challenges and future perspectives on optimization,precise design,and practical application of the bifunctional catalysts in polyethylene hydrocracking system will be proposed. 展开更多
关键词 Polyethylene waste plastic Hydrocracking Bifunctional catalyst Rational design Liquid fuels
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Mechanistic study on activity and SO2 tolerance of CeO2-coated ZrVOx catalysts for selective catalytic reduction of NOx with NH3 认领 引用
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作者 Mingyu Guo Ke Niu +5 位作者 Guolong Zang Shaoping Cui Qingling Liu Caixia Liu Boqun Liu Yingjie Zhao 《Journal of Rare Earths》 SCIE EI CAS CSCD 2026年第6期1813-1823,I0005,共11页
Since sulfur oxides in the engine exhaust usually lead to the catalyst deactivation,so SO2 resistance under low-temperature conditions serves as a critical performance criterion to the catalysts.A series of ZrVO_(x... Since sulfur oxides in the engine exhaust usually lead to the catalyst deactivation,so SO2 resistance under low-temperature conditions serves as a critical performance criterion to the catalysts.A series of ZrVOx@CeO2 catalysts with excellent catalytic activity and SO2 tolerance was synthesized using the combination of hydrothermal and precipitation methods for the ammonia selective catalytic reduction(NH3-SCR)reaction.In the range of 160-380℃,the NO conversion is consistently over 90%.Notably,with the addition of 200 ppm SO2,the NO conversion stabilizes at 90%within 10 h at 230℃.The CeO2 species are deposited as fine particles on the catalyst surface,forming irregular spherical protrusions.This morphology significantly increases the specific surface area,which in turn enhances the activation and adsorption of reactant.The incorporation of CeO2 modifies the electronic structure of the O 1s orbital,and generates a higher density of oxygen vacancies to maintain electrostatic equilibrium.In situ diffuse reflectance infrared Fourier transform spectroscopy(DRIFTs)shows that SO2 has little effect on the adsorption and activation of NO and NH3.Therefore,the ZrVOx@CeO2 catalysts exhibit excellent reducibility,effectively enhancing the catalytic performance.Overall,the main mechanism on the ZrVOx@CeO2 catalyst is the Langmuir-Hinshelwood mechanism. 展开更多
关键词 Selective catalytic reduction CeO₂ Vanadate Catalysts SO₂resistance Rare earths
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