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Rare Metals 2024年第10期43卷 5256-5267页

作者： Jie Xiong Bo-wen Bai Hao-ran Jiang Angeles Faus-Golfe Materials Genome Institute Shanghai University Institute of Special Environments Physical Sciences Harbin Institute of Technology Laboratoire de Physique des 2 Infinis Irene Joliot-Curie (IJCLab) CNRS-IN2P3Universite′Paris-Saclay

Fe-based metallic glasses have garnered significant attention due to their low coercivity force and core loss. Enhancing the saturation magnetic flux density(Bs) of Fe-based metallic glasses is crucial for their industry applications. This work constructed a dataset comprising330 training data and 157 test data. The support vector regression model surpassed the tree-based ensemble models in the test set and demonstrated comparable accuracy to the tree-based ensemble models in the training set. Additionally, we proposed an indicator for Bsbased on symbolic regression. This newly proposed indicator exhibits a Pearson correlation coefficient exceeding 0.92 with Bs. The present work provides a simple and accurate formula for predicting the Bsof Fe-based amorphous alloys, demonstrating the effectiveness of machine learning approaches in discovering novel soft magnetic materials.

关键词： Fe-based metallic glasses Machine learning Saturation magnetic flux density Symbolic regression

Design of dual-functional protic porous ionic liquids for boosting selective extractive desulfurization

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Petroleum Science 2024年第4期21卷 2817-2829页

作者： jin-Rui Zhang Jie Yin jing He Hong-Shun ran Wei Jiang Hong-Ping Li wen-Shuai Zhu Hua-Ming Li Ming Zhang School of the Environment and Safety Engineering & Institute for Energy Research Jiangsu University School of Chemistry and Chemical Engineering Jiangsu University

Porous ionic liquids have demonstrated excellent performance in the field of separation, attributed to their high specific surface area and efficient mass transfer. Herein, task-specific protic porous ionic liquids(PPILs) were prepared by employing a novel one-step coupling neutralization reaction strategy for extractive desulfurization. The single-extraction efficiency of PPILs reached 75.0% for ***, adding aromatic hydrocarbon interferents resulted in a slight decrease in the extraction efficiency of PPILs(from 45.2% to 37.3%, 37.9%, and 33.5%), indicating the excellent extraction selectivity of PPILs. The experimental measurements and density functional theory calculations reveal that the surface channels of porous structures can selectively capture dibenzothiophene by the stronger electrophilicity(Eint(HS surface channel/DBT)=-39.8 kcal mol-1), and the multiple extraction sites of ion pairs can effectively enrich and transport dibenzothiophene from the oil phase into PPILs through π...π, C-H...π and hydrogen bonds interactions. Furthermore, this straightforward synthetic strategy can be employed in preparing porous liquids, offering new possibilities for synthesizing PPILs with tailored functionalities.

关键词： Protic porous ionic liquids Extractive desulfurization Selectivity Density functional theory

Unveiling the size effect of nitrogen-doped carbon-supported copper-based catalysts on nitrate-to-ammonia electroreduction

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Nano Research 2024年第4期17卷 2438-2443页

作者： ran Li Taotao Gao wenxi Qiu Minghao Xie Zhaoyu jin Panpan Li College of Materials Science and Engineering Sichuan UniversityChengdu 610065China Institute for Advanced Study Chengdu UniversityChengdu 610106China Materials Science and Engineering Program and Walker Department of Mechanical Engineering The University of Texas at AustinAustinTexas 78712USA Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 610054China

The electrocatalytic nitrate reduction reaction(NitRR)represents a promising approach toward achieving economically and environmentally sustainable ***,it remains a challenge to regulate the size effect of electrocatalysts to optimize the catalytic activity and ammonia ***,the Cu-based catalysts were tailored at the atomic level to exhibit a size gradient ranging from single-atom catalysts(SACs,0.15–0.35 nm)to single-cluster catalysts(SCCs,1.0–2.8 nm)and nanoparticles(NPs,20–30 nm),with the aim of studying the size effect for the NO_(3)^(-)-to-NH_(3) reduction ***,the Cu SCCs exhibit enhanced metal–substrate and metal–metal interactions by taking advantageous features of Cu SACs and Cu ***,Cu SCCs achieve exceptional electrocatalytic performance for the NitRR with a maximum Faradaic efficiency of ca.96%NH_(3)and the largest yield rate of ca.1.99 mg·h^(-1)·cm^(-2) at-0.5 V *** hydrogen electrode(RHE).The theoretical calculation further reveals the size effect and coordination environment on the high catalytic activity and selectivity for the *** work provides a promising various size-controlled design strategy for aerogel-based catalysts effectively applied in various electrocatalytic reactions.

关键词： nitrate electroreduction ammonia electrosynthesis size effect single-cluster catalyst

Mechanisms of inclusion-induced pitting of stainless steels:A review

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Journal of Materials Science & Technology 2024年第1期168卷 143-156页

作者： Yangting Sun Xin Tan Rulei Lan Guoyong ran jin Li Yiming Jiang Department of Materials Science State Key Laboratory of Molecular Engineering of PolymersFudan UniversityShanghai 200438China

Pitting is a common type of localized corrosion in passive alloys that can cause rapid failure of material or *** the case of stainless steels,non-metallic inclusions have been identified as the most susceptible sites for pitting,and have therefore garnered significant *** review critically ex-amines the issue of how inclusions induce pitting,with a particular focus on three mechanisms:sponta-neous dissolution of inclusions,active dissolution of Cr-depleted regions,and propagation of microcracks at the inclusion-matrix *** researchers have made significant strides in understanding these mechanisms over the past few decades,many gaps and controversies *** such as the ini-tial driving force of inclusion dissolution and factors affecting Cr-depleted regions require further ***,some old concepts and methods need to be revised to arrive at more credible *** review aims to delve deeply into these important issues and provide inspiration for future research.

关键词： Pitting Inclusion Stainless steel Localized corrosion MnS

Spin-based magnetic random-access memory for high-performance computing

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National Science Review 2024年第3期11卷 20-23页

作者： Kaiming Cai Tianli jin wen Siang Lew School of Physics Huazhong University of Science and Technology Interuniversity Microelectronics Centre(IMEC) School of Physical and Mathematical Sciences Nanyang Technological University

Memory serves as a critical component in today's electronic systems for data storage and processing. In traditional computer architectures, the logic and memory units are physically separated, due to the performance gap in operational speed and capacity among memories, resulting in the fundamental limitation of the von Neumann computers.

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In situ embedded bismuth nanoparticles among highly porous carbon fibers for efficient carbon dioxide reduction

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Rare Metals 2024年第9期43卷 4312-4320页

作者： Wei-Jian Guo Ao Zhou wen-wen Cai jin-Tao Zhang Key Laboratory for Colloid and Interface Chemistry(Ministry of Education) School of Chemistry and Chemical EngineeringShandong UniversityJinan 250100China

Electrocatalysis provides an optimal approach for the conversion of carbon dioxide(CO_(2))into high-value chemicals,thereby presenting a promising avenue toward achieve carbon ***,addressing the selectivity and stability challenges of metal catalysts in electrolytic reduction remains a daunting *** this study,the electrospinning method is employed to fabricate porous carbon nanofibers loaded with bismuth nanoparticles with the help of in situ *** porous carbon nanofibers as conductive support would facilitate the dispersion of bismuth active sites while inhibiting their aggregation and promoting the mass transfer,thus enhancing their electrocatalytic activity and ***,nitrogen doping induces electron delocalization in bismuth atoms through metal-support interactions,thus enabling efficient adsorption of intermediates for improving selectivity based on the theoretical ***,Bi@PCNF-500 exhibits the exceptional selectivity and stability across a wide range of potential ***,its faradaic efficiency(FE)of formate reaches 92.7%in H-cell and94.9%in flow cell,respectively,with good electrocatalytic *** in situ characterization and theoretical calculations elucidate the plausible reaction mechanism to obtain basic rules for designing efficient electrocatalyst.

关键词： Porous carbon nanofiber N-doping Electron delocalization Carbon dioxide reduction

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Effect of nano-carbon black content on wetting phenomenon of molten steel and alumina-carbon ceramic filter substrates

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Journal of Iron and Steel Research International 2024年第8期31卷 1900-1913页

作者： jin-wen Song wen Yan Zhe Chen Ying Liu Shao-song Hong The State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan 430081HubeiChina National-provincial Joint Engineering Research Center of High Temperature Materials and Lining Technology Wuhan University of Science and TechnologyWuhan 430081HubeiChina Jiangsu Sheng Nai New Materials Co. Ltd.Taizhou 225503JiangsuChina

The effect of nano-carbon black content(O,8 and 12 wt.%)on the wettability of molten steel on Al_(2)O_(3)-C substrates was investigated by the sessile drop wetting method at 1500℃ under argon *** the beginning of the wetting experiment,the contact angle decreased with the increase in nano-carbon black *** the wetting experiment progressed,FeAl_(2)0_(4) layer and sheet Al_(2)O_(3) layer were found at the interface between the molten steel and the Al_(2)O_(3)-C substrates with O and 8 wt.% nano-carbon black content,and the contact angle deceased with *** the content of nano-carbon black was 12 wt.%,a large number of nano-Al_(2)O_(3) whiskers were observed,which made the contact angle between the molten steel and Al_(2)O_(3)-C substrate become *** on the scanning electron microscope and energy dispersive spectrometry results,the formation mechanism of FeAl2O4 layer and Al_(2)O_(3) layer and the interfacial reaction mechanism were proposed.

关键词： Contact angle Nano-carbon black Al_(2)O_(3)-C substrate Molten steel Interfacial reaction

Impact of Ni particle size on CO_(2)activation and CO formation during reforming process:A density functional theory study

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Frontiers in Energy 2024年第4期18卷 525-534页

作者： Juntian NIU Shengzhuo CHEN Xianrong ZHENG Haiyu LIU Yan jin jingyu ran College of Electrical and Power Engineering Taiyuan University of TechnologyTaiyuan 030024China Key Laboratory of Low-grade Energy Utilization Technologies and Systems(Ministry of Education) Chongqing UniversityChongqing 400044China

In recent years,the dry reforming of methane(DRM)reaction has gained widespread attention due to its effective utilization of two major greenhouse *** Ni-based catalysts for DRM exhibit a strong dependence on particle size,however,the reaction mechanisms involved remain *** this work,the effect of metal particle size on CO_(2)activation and CO formation was explored in the DRM reaction using the density functional ***/MgO(x=13,25,37)was constructed to investigate the CO_(2)activation and the formation of CO during the DRM *** is found that CO_(2)is more inclined to undergo chemisorption on Nix/MgO before *** the variation in particle size,the main activation pathway of CO_(2)on the catalyst *** the smallest Ni13/MgO,CO_(2)tends to directly dissociate,while on the larger Ni25/MgO and Ni37/MgO,the hydrogenation dissociation of CO_(2)is more kinetically *** to Ni13/MgO and Ni37/MgO,the oxidation of surface C atoms and the oxidation of CH occur more readily on Ni25/*** indicates that C atoms are less likely to form on Ni25 particle and are more easily to be *** some extent,the results suggest that Ni25/MgO exhibits superior resistance to carbon formation.

关键词： particle size Ni/MgO catalyst CO_(2)activation CO formation

Tuning mechanical and electrical performances of B_(4)C-TiB_(2)ceramics in a two-step spark plasma sintering process

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Journal of Advanced Ceramics 2024年第4期13卷 518-528页

作者： Jun Zhao Xingshuo Zhang Zongning Ma Dong Wang Xing jin Songlin ran Advanced Ceramics Research Center School of Materials Science and EngineeringAnhui University of TechnologyMaanshan 243002China Anhui Engineering Research Center for High Efficiency Intelligent Photovoltaic Module Chaohu UniversityHefei 238024China

B_(4)C–TiB_(2)is an advanced electrically conductive ceramic with excellent mechanical and electrical discharge machinable *** is challenging and rewarding to achieve highly conductive and hard B_(4)C–TiB_(2)composites at a minimum content of conductive TiB2 that has inferior hardness but double specific gravity of the B_(4)C matrix.A novel strategy was used to construct conductive networks in B_(4)C‒15 vol%TiB2 composite ceramics with B_(4)C,TiC,and amorphous B as raw materials by a two-step spark plasma sintering *** influences of particle size matching between B_(4)C and TiC on the conducting of the strategy and the microstructure were discussed based on the selective matrix grain growth *** mechanical and electrical properties were also systematically *** B_(4)C–15 vol%TiB2 composite ceramic prepared from 10.29µm B_(4)C and 0.05µm TiC powders exhibited a perfect three-dimensional interconnected conductive network with a maximum electrical conductivity of 4.25×10^(4)S/m,together with excellent mechanical properties including flexural strength,Vickers hardness,and fracture toughness of 691±58 MPa,30.30±0.61 GPa,and 5.75±0.32 MPa·m^(1/2),respectively,while the composite obtained from 3.12µm B_(4)C and 0.8µm TiC powders had the best mechanical properties including flexural strength,Vickers hardness,and fracture toughness of 827±35 MPa,32.01±0.51 GPa,and 6.45±0.22 MPa·m^(1/2),together with a decent electrical conductivity of 0.65×10^(4)S/m.

关键词： B_(4)C-TiB_(2) mechanical properties electrical conductivity conductive network

Preface to the special topic on metals and their compounds for lithium ion/metal batteries

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Tungsten 2024年第1期6卷 162-163页

作者： Ying-Ze Song wen-Long Cai Gao-ran Li State Key Laboratory of Environment-Friendly Energy Materials Southwest University of Science and TechnologyMianyang 621010China College of Materials Science and Engineering Sichuan UniversityChengdu 610064China School of Materials Science and Engineering Nanjing University of Science and TechnologyNanjing 210094China

The fast development of electronics and electric devices has inspired the practical application of lithium ion/metal *** this line,the metals and their compounds as electrode materials as well as the corresponding mechanism for energy storage have gained extensive international *** as-organized special topic focuses on W,Mo,Co,Zr,Hf,Re,Ta,Nb,V-based metals and their compounds for lithium ion/metal *** special topic involves four reviews and four research papers totally,providing the latest advances of transition metals and their related compounds for rechargeable lithium ion/metal batteries.

关键词： lithium metals gained

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