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Mechanistic insight into the synergy between nickel single atoms and nanoparticles on N-doped carbon for electroreduction of CO2

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Journal of Energy Chemistry 2025年第1期100卷 327-336页

作者： Mingdong Sun Wenwen Guan Cailing Chen Chao Wu Xiaoling Liu Biao Meng Tao Chen Yu Han Jun Wang Shibo Xi Yu Zhou State key laboratory of materials-Oriented Chemical engineering College of Chemical Engineering Nanjing Tech University advanced Membranes and Porous materials Center Physical Sciences and Engineering Division King Abdullah University of Science and Technology Institute of Sustainability for Chemicals Energy and Environment A*STAR (Agency for Science Technology and Research) College of materials Science and engineering Sichuan University

The synergy of single atoms （SAs） and nanoparticles （NPs） has demonstrated great potential in promoting the electrocatalytic carbon dioxide reduction reaction （CO2RR）;however,the rationalization of the SAs/NPs proportion remains one challenge for the catalyst ***,a Ni2+-loaded porous poly（ionic liquids）(PIL) precursor synthesized through the free radical self-polymerization of the ionic liquid monomer,1-allyl-3-vinylimidazolium chloride,was pyrolyzed to prepare the Ni,N co-doped carbon materials,in which the proportion of Ni SAs and NPs could be facilely modulated by controlling the annealing *** catalyst Ni-NC-1000 with a moderate proportion of Ni SAs and NPs exhibited high efficiency in the electrocatalytic conversion of CO2into *** Ni K-edge X-ray absorption near-edge structure （XANES） spectra and theoretical calculations were conducted to gain insight into the synergy of Ni SAs and *** charge transfer from Ni NPs to the surrounding carbon layer and then to the Ni SAs resulted in the electron-enriched Ni SAs active *** the electroreduction of CO2,the coexistence of Ni SAs and NPs strengthened the CO2activation and the affinity towards the key intermediate of*COOH,lowering the free energy for the potential-determining*CO2→*COOH step,and therefore promoted the catalysis efficiency.

关键词： Activation energy

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Research status and prospects of the fractal analysis of metal material surfaces and interfaces

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International Journal of Minerals,Metallurgy and materials 2025年第1期32卷 20-38页

作者： Qinjin Dai Xuefeng Liu Xin Ma Shaojie Tian Qinghe Cui Beijing advanced Innovation Center for materials Genome engineering University of Science and Technology BeijingBeijing 100083China Beijing laboratory of Metallic materials and Processing for Modern transportation University of Science and Technology BeijingBeijing 100083China laboratory for advanced materials Processing of Ministry of Education University of Science and Technology BeijingBeijing 100083China School of Mechanical and Electrical engineering Xinjiang Institute of EngineeringUrumqi 830023China

As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine *** analysis has been used to characterize the shapes of metal materials at various scales and *** methods make it difficult to quantitatively describe the relationship between the regular characteristics and properties of metal material surfaces and ***,fractal analysis can be used to quantitatively describe the shape characteristics of metal materials and to establish the quantitative relationships between the shape characteristics and various properties of metal *** the perspective of two-dimensional planes and three-dimensional curved surfaces,this paper reviews the current research status of the fractal analysis of metal precipitate interfaces,metal grain boundary interfaces,metal-deposited film surfaces,metal fracture surfaces,metal machined surfaces,and metal wear *** relationship between the fractal dimensions and properties of metal material surfaces and interfaces is *** from three perspectives of fractal analysis,namely,research scope,image acquisition methods,and calculation methods,this paper identifies the direction of research on fractal analysis of metal material surfaces and interfaces that need to be *** is believed that revealing the deep influence mechanism between the fractal dimensions and properties of metal material surfaces and interfaces will be the key research direction of the fractal analysis of metal materials in the future.

关键词： metal material surfaces and interfaces fractal analysis fractal dimension homogeneity

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“Zero‑Strain” NiNb_(2)O_(6) Fibers for All‑Climate Lithium Storage

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Nano-Micro Letters 2025年第1期17卷 348-360页

作者： Yan Zhao Qiang Yuan Liting Yang Guisheng Liang Yifeng Cheng Limin Wu Chunfu Lin Renchao Che College of Physics Donghua UniversityShanghai 201620People’s Republic of China School of materials Science and engineering Institute of Materials for Energy and EnvironmentQingdao UniversityQingdao 266071People’s Republic of China laboratory of advanced materials Shanghai Key Laboratory of Molecular Catalysis and Innovative MaterialsAcademy for Engineering&TechnologyFudan UniversityShanghai 200438People’s Republic of China Zhejiang laboratory Hangzhou 311100People’s Republic of China Inner Mongolia University Hohhot 010021People’s Republic of China

Niobates are promising all-climate Li^(+)-storage anode material due to their fast charge transport,large specific capacities,and resistance to electrolyte ***,their moderate unit-cellvolume expansion(generally 5%–10%)during Li^(+)storage causes unsatisfactory long-term ***,“zero-strain”NiNb_(2)O_(6) fibers are explored as a new anode material with comprehensively good electrochemical *** Li^(+)storage,the expansion of electrochemical inactive NiO_(6) octahedra almost fully offsets the shrinkage of active NbO_(6) octahedra through reversible O *** superior volume-accommodation capability of the NiO_(6) layers guarantees the“zero-strain”behavior of NiNb_(2)O_(6) in a broad temperature range(0.53%//0.51%//0.74%at 25//−10//60℃),leading to the excellent cyclability of the NiNb_(2)O_(6) fibers(92.8%//99.2%//91.1%capacity retention after 1000//2000//1000 cycles at 10C and 25//−10//60℃).This NiNb_(2)O_(6) material further exhibits a large reversible capacity(300//184//318 mAh g−1 at 0.1C and 25//−10//60℃)and outstanding rate performance(10 to 0.5C capacity percentage of 64.3%//50.0%//65.4%at 25//−10//60℃).Therefore,the NiNb_(2)O_(6) fibers are especially suitable for large-capacity,fast-charging,long-life,and all-climate lithium-ion batteries.

关键词： NiNb_(2)O_(6)porous fiber “Zero-strain”mechanism Electrochemical property Harsh-temperature operation Operando characterization

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Ultrastrong room-temperature phosphorescence in cucurbit[8]uril-mediated crystalline supramolecules for ratiometric detection of phenethylamine

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Science China Chemistry 2025年

作者： Qingyu Niu Yingxiang Ye Lingna Su Xu He Zhiqiang Li Yu Liu School of Chemical engineering and Technology Hebei University of Technology Fujian Provincial key laboratory of Polymer materials College of Chemistry and Materials Science Fujian Normal University key laboratory of advanced Energy materials Chemistry (Ministry of Education) Nankai University College of Chemistry State Key Laboratory of Elemento-Organic Chemistry Nankai University

It is a great challenge to modulate purely organic fluorescence-phosphorescence dual emission in aqueous solution because the excited singlet and triplet states are in competition with each other. Herein, we report a crystalline 1:2 host-guest formed by selfassembly of 4-(4-bromophenyl)-pyridinium derivatives and cucurbit[8]uril, in which a rigid environment rich in weak interactions is directly demonstrated. Due to the inhibition of non-radiative transition and stabilization of triplet exciton in the crystalline environment, the crystalline inclusion complex exhibits ultralong room-temperature phosphorescence lifetime of 3.21 ms with an room-temperature phosphorescence(RTP) quantum yield up to 16.29%. Interestingly, the crystalline 1:2 hostguest complex demonstrates the ability of rapid identification and sensitive fluorescence-phosphorescence ratiometric detection behavior toward phenethylamine, a drug analogue, with a limit of detection as low as 27.5 nM. We believe that this study will undoubtedly broaden the utilizing scopes of RTP and offer a novel avenue for psychoactive substances monitoring.

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Influence of introducing Zr,Ti,Nb and Ce elements on externally solidified crystals and mechanical properties of high-pressure die-casting Al–Si alloy

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International Journal of Minerals,Metallurgy and materials 2025年第1期32卷 147-153页

作者： Junjie Li Wenbo Yu Zhenyu Sun Weichen Zheng Liangwei Zhang Yanling Xue Wenning Liu Shoumei Xiong Center of materials Science and engineering School of Mechanical and Electronic Control EngineeringBeijing Jiaotong UniversityBeijing 100044China Traffic&transportation engineering Central South UniversityChangsha 410075China Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China School of materials Science and engineering Tsinghua UniversityBeijing 100084China

High pressure die casting(HPDC)AlSi10Mn Mg alloy castings are widely used in the automobile *** can optimize the mechanical properties of castings through heat treatment,while the release of thermal stress arouses the deformation of large integrated ***,the development of non-heat treatment Al alloys is becoming the hot *** addition,HPDC contains externally solidified crystals(ESCs),which are detrimental to the mechanical properties of *** achieve high strength and toughness of non-heat treatment die-casting Al-Si alloy,we used AlSi9Mn alloy as matrix with the introduction of Zr,Ti,Nb,and *** influences on ESCs and mechanical properties were systematically investigated through three-dimensional reconstruction and thermodynamic *** results reveal that the addition of Ti increased ESCs'size and porosity,while the introduction of Nb refined ESCs and decreased ***,large-sized Al_3(Zr,Ti)phases formed and degraded the mechanical *** introduction of Ce resulted in the poisoning effect and reduced mechanical properties.

关键词： aluminium alloy high-pressure die-casting externally solidified crystals non-heat treatment

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InNi alloy-induced interface effect promoting the parallel electron transfer: improved photothermal catalytic CO2 hydrogenation

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Science China Chemistry 2025年

作者： Haoyu Zhang Yuhang Li Yu Nie Xinyu Dou Haodong Ji Xin Tan Jinhua Ye Tao Yu School of Chemical engineering and Technology Tianjin University Eco-environment and Resource Efficiency Research laboratory School of Environment and Energy Peking University Shenzhen Graduate School School of environmental Science and engineering Tianjin University advanced Catalytic materials Research Center School of Materials Science and Engineering Tianjin University Research Center for Solar Driven Carbon Neutrality Hebei University

Photothermal catalytic CO2hydrogenation is an effective means of utilizing carbon ***,it is severely limited in terms of kinetics and ***,it is necessary to meticulously design catalysts to solve this ***,a sandwich structured NiO@InNi/In2O3is designed to intrinsically regulate the direction of photogenerated carriers transfer,resulting in a CO yield of 42.97 mmol g-1h-1(1290.3μmol h-1) with a selectivity near to 100%.InNi alloy favors the collection of photogenerated carriers by the parallel way and enhancement of the adsorption and activation of *** grown on the surface of InNi alloy not only improves the adsorption of H2and provides sufficient H+for the reaction,but also makes InNi alloy more stable during the reaction *** photothermal effect caused by In2O3accelerates the transfer of photogenerated carriers and increases the surface temperature of the catalyst,thereby synergistically promoting the reaction from a kinetic *** work ameliorates the kinetic and thermodynamic limitations of the photothermal catalytic CO2hydrogenation process through rationally designing the electron transfer direction of the sandwich structured catalysts to parallel way.

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Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO3- integrated CO2 reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst

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Journal of Energy Chemistry 2025年第1期100卷 273-285页

作者： Tianhang Zhou Chen Shen Zhenghao Wu Xingying Lan Yi Xiao College of Carbon Neutrality Future Technology State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) Institute of materials Science TU Darmstadt Department of Chemistry Xi'an Jiaotong-Liverpool University Department of Mechanical and Mechatronics engineering and Waterloo Institute of Nanotechnology University of Waterloo Waterloo

Dual atomic catalysts （DAC）,particularly copper （Cu2）-based nitrogen （N） doped graphene,show great potential to effectively convert CO2and nitrate （NO3-） into important industrial chemicals such as ethylene,glycol,acetamide,and urea through an efficient catalytical process that involves C–C and C–N ***,the origin of the coupling activity remained unclear,which substantially hinders the rational design of Cu-based catalysts for the N-integrated CO2reduction reaction （CO2RR）.To address this challenge,this work performed advanced density functional theory calculations incorporating explicit solvation based on a Cu2-based N-doped carbon (Cu2N6C10) catalyst for *** calculations are aimed to gain insight into the reaction mechanisms for the synthesis of ethylene,acetamide,and urea via coupling in the interfacial reaction *** to the sluggishness of CO2,the formation of a solvation electric layer by anions （F-,Cl-,Br-,and I-） and cations (Na+,Mg2+,K+,and Ca2+) leads to electron transfer towards the Cu *** process significantly accelerates the reduction of *** results reveal that*CO intermediates play a pivotal role in N-integrated ***,the Cu2-based N-doped carbon catalyst examined in this study has demonstrated the most potential for C–N coupling to *** findings reveal that through the process of a condensation reaction between*CO and NH2OH for urea synthesis,*NO3-is reduced to*NH3,and*CO2to*CCO at dual Cu atom *** dual-site reduction facilitates the synthesis of acetamide through a nucleophilic reaction between NH3and the ketene ***,we found that the I-and Mg2+ions,influenced by pH,were highly effective for acetamide and ammonia synthesis,except when F-and Ca2+were ***,the mechanisms of C–N bond formation were investigated via ab-initio molecular dynamics simulations,and we found that adjusting the micro-environment can change the dominant side reaction,shift

关键词： Condensation reactions

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Upcycling of polyethylene terephthalate to1,4-cyclohexanedimethanol in water

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Science China Chemistry 2025年

作者： Shuhui Fang Zhiwen Gao Xinrui Shi Min Zhang Wei Zhang Yue Liu State key laboratory of Petroleum Molecular & Process engineering Shanghai Key Laboratory of Green Chemistry and Chemical ProcessesSchool of Chemistry and Molecular Engineering East China Normal University engineering Center for Sustainable Carbon Science and Technology East China Normal University Institute of Eco-Chongming

The recycling of waste polyethylene terephthalate（PET）, an extensively used polymer as plastic and fiber materials, has become an urgent topic due to the rapid generation and accumulation of plastic waste into the environment. Current chemical recycling approaches to depolymerize and convert PET into 1,4-cyclohexanedimethanol（CHDM）, an important chemical in the production of advanced polyesters, predominantly use organic solvents, such as alcohols or dioxane. Herein, we developed an environmentally friendly and economically viable pathway for converting PET to CHDM using water as the solvent. In this process, PET is sequentially hydrolyzed in water, hydrogenated to 1,4-cyclohexane dicarboxylic acid（CHDA）, and then reduced to CHDM. The PET conversion rate is self-enhanced in aqueous medium via acid-catalyzed hydrolysis by the generated CHDA intermediate. A Pd-based catalyst（e.g., Pd/C） selectively hydrogenates the arene ring of the PET monomer, terephthalic acid intermediate, and a Ru-Sn/C bimetallic catalyst reduces its COOH to CH2OH group. At optimized reaction conditions, a complete conversion of PET and 80.1% yield of CHDM are obtained. Alternatively, this approach can also efficiently produce CHDA from PET, with a yield up to 86.4%.

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Influences of POSS-E-GO Content on Mechanical Properties of Bio-based Epoxy/DOPO-POSS Nanocomposites

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Journal of Wuhan University of Technology(materials Science) 2022年第4期37卷 765-772页

作者： DU Yonggang SHI Gonghui WANG Jiaming WANG Yiming WANG Xuhua WANG Liwei YANG Jinhui REN Shitong School of materials Science and engineering Shijiazhuang Tiedao UniversityShijiazhuang 050043China Hebei key laboratory of advanced materials for transportation engineering and environment Shijiazhuang 050043China

The bio-based epoxy nanocomposite(GAER/DOPO-POSS)was prepared from gallic epoxy resin(GAER)and polyhedral oligomeric silsesquioxane(which containing 9,10-dihydrogen-9-oxo-10-phosphorus-phenanthrene-10-oxide groups,called DOPO-POSS).The polyhedral oligomeric silsesquioxane containing epoxy groups(E-POSS)was grafted onto aminated graphene oxide(E-GO),then the novel POSS-E-GO was *** POSS-E-GO was used as modifier for GAER/DOPO-POSS *** influences of POSS-E-GO content on mechanical properties,dynamic mechanical properties and thermal stability of GAER/DOPO-POSS nanocomposites were *** experimental results show that POSS-E-GO can significantly improve the toughness of the GAER/DOPO-POSS *** 0.5wt% POSS-E-GO was added in GAER/DOPO-POSS nanocomposite,the impact strength of the nanocomposite was 4.74 kJ/m^(2) higher than that in the absence of POSS-E-GO,meantime the initial thermal degradation temperature was 277℃.

关键词： epoxy resin impact resistance nanocomposites

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微孔卷曲碳包埋双金属氧化物中的电荷再分布促进高效硝酸根电还原合成氨（英文）

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Science China materials 2025年

作者：刘利拓董洪亮黄思娜高娜娜张镭骞杨利明巴静雯 Johan Hofkens Markus Antonietti 刘天西赖飞立田志红 engineering Research Center for Nanomaterials Henan University Center for High Pressure Science and Technology advanced Research key laboratory of Theoretical Chemistry of environment Ministry of EducationSchool of ChemistrySouth China Normal University key laboratory of Synthetic and Biological Colloids Ministry of EducationSchool of Chemical and Material EngineeringJiangnan University School of Chemistry and Chemical engineering Huazhong University of Science and Technology Department of Chemistry KU Leuven Department of Colloid Chemistry Max Planck Institute of Colloids and Interfaces State key laboratory of Metal Matrix Composites School of Materials Science and EngineeringShanghai Jiao Tong University

电还原硝酸盐（NO3-）合成氨（NH3）不仅可以去除饮用水中的NO3-,更高浓度时,这一八电子的还原过程还可高效储能,即在低过电位下实现NO3-到NH3的高效转化.本研究中,我们采用熔盐法合成了NiFe2O4/C-MS复合材料.其中,NiFe2O4作为活性中心...

电还原硝酸盐（NO3-）合成氨（NH3）不仅可以去除饮用水中的NO3-,更高浓度时,这一八电子的还原过程还可高效储能,即在低过电位下实现NO3-到NH3的高效转化.本研究中,我们采用熔盐法合成了NiFe2O4/C-MS复合材料.其中,NiFe2O4作为活性中心,而微孔碳是其导电载体.在-0.6 V ***下,NiFe2O4/C-MS具有较高的NH3产率(5.4 mg mg-1cat.h-1),且法拉第效率可达到98%.NiFe2O4/C-MS中电荷再分布降低了起始电位,同时微孔碳内部加速的电解质扩散也加快了转化速率.密度泛函理论计算证实,以NiFe2O4作为活性中心时,反应路径的能垒降低,突出了Ni活化Fe的关键作用.此外,COMSOL Multiphysics模拟结果表明,微孔碳能加快NO3-的传输,从而加快了反应速率.这项工作为设计应用于NO3-电还原合成NH3的碳基复合材料提供了新思路.

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