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Surface engineering on MnO2 nanorods by La single atoms to accelerate oxygen reduction kinetics

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Rare Metals 2024年第9期43卷 4302-4311页

作者： Zhang-Long He Liu-Qi Wang Min Jiang Jia-Nan Xie Shan Liu Jin-Can Ren Rui Sun Wen-Bin Lv Wei-Bin Guo Yu-Ling Liu Bing Li Qi Liu Hao He school of materials science and engineering Changsha University of Science and Technology school of materials science and engineering NanjingUniversity of Science and Technology school of materials science and engineering Shanghai JiaoTong University Department of Physics City University of Hong Kong

Surface engineering,which modulates the electronic structure and adsorption/desorption properties of electrocatalysts,is one of the key strategies for improving the catalytic ***,we demonstrate a facile solid-phase reaction for surface engineering of MnO2to boost the oxygen reduction *** reaction with surface hydroxy groups,La single atoms with loading amount up to 2.7 wt%are anchored onto *** surface engineering,the oxygen reduction reaction （ORR） kinetics is significantly improved with the half-wave potential from 0.70 to 0.84 V,the number of transferred electrons from 2.5 to 3.9 and the limiting current density from 4.8 to 6.0 mA·*** addition,the catalyst delivers superior discharge performance in both alkaline and neutral metal–air *** functional theory （DFT） calculations reveal that atomic La modulates the surface electronic configuration of MnO2,reduces its d-band center and thus lowers the OOH*and O*reaction energy *** work provides a new route for rational design of highly active electrocatalyst and holds great potential for application in various catalytic reactions.

关键词： Electron injection Metal–air batteries Oxygen reduction reaction Single atoms Surface engineering

“Blocking and rebalance” mechanism-guided design strategies of bimetallic doped 2D a-phosphorus carbide as efficient catalysts for N2 electroreduction

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Journal of Energy Chemistry 2024年第10期97卷 68-78页

作者： Cheng He Jianglong Ma Shen Xi Wenxue Zhang State Key Laboratory for Mechanical Behavior of materials School of Materials Science and Engineering Xi'an Jiaotong University school of materials science and engineering Chang'an University

Compared to single atom catalysts（SACs）,the introduction of dual atom catalysts（DACs） has a significantly positive effect on improving the efficiency in the electrocatalytic nitrogen reduction reaction（NRR） which provides an environmental alternative to the Haber-Bosch ***,the research on the mechanism and strategy of designing bimetallic combinations for better performance is still in its early ***,based on "blocking and rebalance" mechanism,45 combinations of bimetallic pair doped α-phosphorus carbide（TMATMB@PC） are investigated as efficient NRR catalysts through density functional theory and machine learning *** a multi-step screening,the combinations of TiV,TiFe,MnMo,and FeW exhibit highly efficient catalytic performance with significantly lower limiting potentials（-0.17,-0.18,-0.14,and-0.30 V,respectively）.Excitingly,the limiting potential for CrMo and CrW combinations is 0 V,which are considered to be extremely suitable for the NRR *** mechanism of "blocking and rebalance" is revealed by the exploration of charge transfer for phosphorus atoms in electron blocking ***,the descriptor φ is proposed with machine learning,which provides design strategies and accurate prediction for finding efficient *** work not only offers promising catalysts TMATMB@PC for NRR process but also provides design strategies by presenting the descriptor φ.

关键词： 2D α-phosphorus carbide DACs Inherent attributes Machine learning Nitrogen reduction reaction

Dual template-induced construction of three-dimensional porous SiO2/NC/Co-CNTs heterostructure with highly dispersed active sites for efficient oxygen evolution reaction

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Tungsten 2024年第3期6卷 585-595页

作者： Hai-Qi Zhang Xiao-Jun Zeng Qing-Qing Zhang Zu-Liang Zhang Chu-Long Jin Rong-Hai Yu school of materials science and engineering Jingdezhen Ceramic University school of materials science and engineering Beihang University

The development and exploration of efficient and economical electrocatalysts for oxygen evolution reaction（OER） represents the main bottleneck to unlocking a sustainable energy scenario based on elec trocataly tic water *** scale integration of three-dimensional（3D） porous heterostructure with highly dispersed active sites and good structural stability is ***,a dual template route is developed to construct the 3D porous SiO2/nitrogen-doped carbon（NC）/Co-carbon nano tubes（CNTs） hetero ***,the hard template（SiO2nano spheres） contributes to 3D porous structure,increases the specific surface area,and promotes the contact area of the *** the same time,the soft template（basic zinc carbonate） can control the growth of 1D CNTs and facilitate the exposure of the active ***,3D porous SiO2/NC/Co-CNTs hetero structure inherits highly dispersed Co nanoparticles coated by *** conductive channels and abundant N hetero atoms doping are reasonably constructed by a dual template ***,SiO2/NC/Co-CNTs catalyst provides an extraordinary activity for the OER in alkaline media,with a low overpotential of 298 mV at a current density of 10 mA·***,SiO2/NC/Co-CNTs hetero structure enables excellent long-term durability with a 10 mV decay in overpotential after 3000 cyclic voltammetry cycles,and 97% remain in current density over 20 *** is believed that this dual template strategy can provide a new and simple way to construct a highly dispersed active site in electrocatalysts.

关键词： Dual template High dispersion Porous heterostructure Conductive channels Oxygen evolution reaction

Highly Stretchable and Tunable Thermo-fluorochromic Polymer Elastomer through Eu3+ Dynamic Coordination Cross-linking

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Chinese Journal of Polymer science 2024年第10期42卷 1449-1458页

作者： Qiu-Li Tan Kai Gou Jing-Zhi Tang Ming-Hui Wei Chong Wang Yi-Jing Nie Geng-Sheng Weng school of materials science and Chemical engineering State Key Laboratory Base of Novel Functional Materials and Preparation Science Ningbo University Institute of Polymer materials School of Materials Science and Engineering Jiangsu University

Thermochromic polymers with tunable thermochromism, high stretchability and mechanical strength are of interests for optical information storage and encryption. In this work, we demonstrate a new design of thermo-fluorochromic carboxylated nitrile butadiene rubber(XNBR) elastomer cross-linked by Eu3+-COOH dynamic coordination with deprotonated imidazole (DPIm) as the ancillary ligand. The presence of DPIm not only improves the mechanical strength and stretchability, but also dramatically intensifies the fluorescence emission and lifetime of the Eu-containing elastomer. The elastomer behaves reversible thermo-fluorochromism with easily tunable transition temperature and emission intensity by the simple change of the deprotonation degree of imidazole. The facile tunable thermo-fluorochromism, exceptional mechanical strength, and high stretchability (up to about 5000%) enable the Eu-containing XNBR elastomer with potential applications in soft electronics where optical information storage and encryption are required.

关键词： Dynamic coordination Elastomer Europium Highly stretchable Thermochromism

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Fe-Induced Electronic Transfer and Structural Evolution of Lotus Pod-Like CoNiFePx@P,N-C Heterostructure for Sustainable Oxygen Evolution

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Energy & Environmental materials 2024年第3期7卷 186-193页

作者： Xiaojun Zeng Qingqing Zhang Chulong Jin Hui Huang Yanfeng Gao Advanced Ceramic materials Research Institute School of Materials Science and EngineeringJingdezhen Ceramic University Singapore Institute of Technology school of materials science and engineering Shanghai University

Transition metal phosphides with metallic properties are a promising candidate for electrocatalytic water oxidation,and developing highly active and stable metal phosphide-based oxygen evolution reaction catalysts is still ***,we present a facile ion exchange and phosphating processes to transform intestine-like CoNiPx@P,N-C into lotus pod-like CoNiFePx@P,N-C heterostructure in which numerous P,N-codoped carboncoated CoNiFePxnanoparticles tightly anchors on the 2D carbon ***,the as-prepared CoNiFePx@P,N-C enables a core-shell structure,high specific surface area,and hierarchical pore structure,which present abundant heterointerfaces and fully exposed active ***,the incorporation of Fe can also induce electron transfer in CoNiPx@P,IM-C,thereby promoting the oxygen evolution ***,CoNiFePx@P,IM-C delivers a low overpotential of 278 mV （vs RHE） at a current density of10 mA cm-1and inherits excellent long-term stability with no observable current density decay after 30 h of chronoamperometry *** work not only highlights heteroatom induction to tune the electronic structure but also provides a facile approach for developing advanced and stable oxygen evolution reaction electrocatalysts with abundant heterointerfaces.

关键词： electronic transfer Fe exchange multi-metal phosphides OER electrocatalysts structural evolution

Dynamic recrystallization mechanism, texture evolution development and mechanical characteristics of a Mg–8.7Gd–4.18Y–0.42Zr magnesium alloy by ECAP

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Progress in Natural science:materials International 2024年第02期34卷 376-388页

作者： Ling Zhang Yinglong Li school of materials science and engineering Northeastern University school of Mechanical and engineering Ningxia Institute of Science and Technology

Equal channel angle pressing is recognized for its ability to refine alloy grains and alter grain orientation, thereby achieve better mechanical performance of the magnesium alloy. This study investigates the microstructures,dynamic recrystallization mechanism, texture development, and mechanical performance of GW94K(Mg–8.7Gd–4.18Y–0.42Zr wt. %) Mg alloy following ECAP-4 passes at 400°C and 3 mm/min. Results show that when high-temperature deformation is undertaken, twin formation is suppressed while dislocation slip is facilitated, increasing dislocation density during deformation. Following ECAP deformation, the sample displayed higher fracture elongation, TYS, and UTS than the as-solutioned GW94K alloy. In particular, the GW94K alloy performed well mechanically after ECAP-4 passes, with an ultimate TYS of 231 MPa, an UTS of 290 MPa, and an elongation of 14.8 %. DDRX and shear bands induce CDRX, both of which are important in plastic deformation. as well as in modifying microstructure and grain orientation during ECAP deformation.

关键词： Dynamic recrystallization mechanism Equal channel angular pressing Magnesium alloy Mechanical performance Mg-Gd-Y-Zr alloy Texture development

Boosting cycling stability by regulating surface oxygen vacancies of LNMO by rapid calcination

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Nano Research 2024年第4期17卷 2671-2677页

作者： Haoran Jiang Cuihua Zeng Wei Zhu Jiawei Luo Zhedong Liu Jingchao Zhang Rui Liu Yunhua Xu Yanan Chen Wenbin Hu school of materials science and engineering Tianjin UniversityTianjin 300072China school of materials science and engineering Shandong University of Science and TechnologyQingdao 266590China

Spinel LiNi_(0.5-x)Mn_(1.5+x)O_(4)(LNMO)has attracted intensive interest for lithium-ion battery due to its high voltage and high energy ***,severe capacity fade attributed to unstable surface structure has hampered its *** vacancies(OVs)tend to occur in the surface of the material and lead to surface structure reconstruction,which deteriorates the battery performance during electrochemical ***,we utilize high-temperature-shock(HTS)method to synthesize LNMO materials with fewer surface *** calcination drives lower surface OVs concentration,reducing the content of Mn^(3+)and surface reconstruction layers,which is beneficial to obtain a stable crystal *** LNMO material synthesized by HTS method delivers an initial capacity of 127 mAh·g^(-1) at 0.1 C and capacity retention of 81.6%after 300 cycles at 1 C,and exhibits excellent performance at low temperature.

关键词： ultrafast synthesis oxygen vacancy LiNi_(0.5-x)Mn_(1.5+x)O_(4)(LNMO)cathode high-temperature-shock lithium-ion batteries

Contrasting strategies of optimizing carrier concentration in bulk InSe for enhanced thermoelectric performance

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Rare Metals 2024年第9期43卷 4425-4432页

作者： Hao-Nan Shi Shu-Lin Bai Yu-Ping Wang Li-Zhong Su Qian Cao Cheng Chang Li-Dong Zhao school of materials science and engineering Beihang University school of materials science and engineering Taiyuan University of Science and Technology Huabei Cooling Device Co.Ltd.

Indium selenide (InSe),as a wide-bandgap semiconductor,has received extensive attention in the flexible electronics field in recent years due to its exceptional plasticity and promising thermoelectric ***,the low carrier concentration severely limits its thermoelectric performance *** this work,we conducted contrasting strategies that can be employed to increase the carrier concentration of InSe,including bandgap narrowing and heterovalent ***,the carrier concentration initially increases as a result of the reduced bandgap upon Te alloying and then slightly decreases due to the weak electronegativity of *** Br doping realizes high carrier concentration by pushing the Fermi level into the conduction bands and activating the multiple *** the other hand,both Te and Br obviously suppress the thermal conductivity due to the point defect *** contrast,Br doping realizes a higher thermoelectric performance with a maximum ZT of～0.13 at 773 K benefiting from the better optimization of carrier *** work elucidates the strategies for enhancing carrier concentration at anion sites and demonstrates the high efficiency of halogen doping in ***,the carrier concentration of InSe is promising to be further optimized,and future work should focus on employing approaches such as cation doping or secondphase compositing.

关键词： Bandgap Carrier concentration Heterovalent doping InSe Thermoelectric

Role of micro-Ca/In alloying in tailoring the microstructural characteristics and discharge performance of dilute Mg-Bi-Sn-based alloys as anodes for Mg-air batteries

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Journal of Magnesium and Alloys 2024年第1期12卷 251-266页

作者： Fei-er Shangguan Wei-li Cheng Yu-hang Chen Ze-qin Cui Hui Yu Hong-xia Wang Li-fei Wang Hang Li Hua Hou school of materials science and engineering Taiyuan University of TechnologyTaiyuan 030024China school of materials science and engineering Hebei University of TechnologyTianjin 300132China school of materials science and engineering North University of ChinaTaiyuan 030051China

The influence of micro-Ca/In alloying on the microstructural charac teristics,electrochemical behaviors and discharge properties of extruded dilute Mg-0.5Bi-0.5Sn-based(wt.%)alloys as anodes for Mg-air batteries are *** grain size and texture intensity of the Mg-Bi-Sn-based alloys are significantly decreased after the Ca/In alloying,particularly for the In-containing *** that,in addition to nanoscale Mg_(3)Bi_(2)phase,a new microscale Mg_(2)Bi_(2)Ca phase forms in the Ca-containing *** electrochemical test results demonstrate that Ca/In micro-alloying can enhance the electrochemical *** In to alloy the Mg-Bi-Sn-based alloy is effective in restricting the cathodic hydrogen evolution(CHE)kinetics,leading to a low self-corrosion rate,while severe CHE occurred after Ca *** micro-alloying of Ca/In to Mg-Bi-Sn-based alloy strongly deteriorates the compactness of discharge products film and mitigates the"chunk effect"(CE),hence the cell voltage,anodic efficiency as well as discharge capacity are greatly *** In-containing alloy exhibits outstanding discharge performance under the combined effect of the modified microstructure and discharge products,thus making it a potential anode material for primary Mg-air battery.

关键词： Mg-air batteries Mg-Bi-Sn based alloys Electrochemical behaviors Discharge properties

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