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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

Highly anti-corrosive NiFe LDHs–NiFe alloy hybrid enables long-term stable alkaline seawater electrolysis

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Rare Metals 2024年第9期43卷 4321-4332页

作者： Jia-Hong Li Hao Chen Si-Hang You Gan-Xin Yang Peng Liu Meng-Qi Gao Shu-Guang Chen Fei-Fei Zhang school of materials science and engineering Changsha University of Science and Technology Department of materials science and engineering Faculty of Engineering National University of Singapore school of materials science and engineering Jilin University

Owing to the significant potential of alkalin seawater electrolysis for converting surplus power into eco friendly hydrogen fuel,we developed bifunctional elec trodes that integrate low-crystalline NiFe LDHs and amorphous NiFe alloy on a Ni foam （NF） substrate to enhance this *** by the battery-like charac teristics of NiFe LDHs,an anti-corrosive and active oute layer of NiFevacOOH continuously forms over time in th hybrid on the anode for the oxygen evolution reaction（OER）,effectively mitigating powder shedding caused by corrosion induced by multiple anions in *** while,the strong bond between the hybrid and the NF substrate maintains intact hybrid coatings to ensure a rel atively high overall conductivity of the electrodes,signif icantly reducing the negative effects of structura degradation during the OER and hydrogen evolution reaction （HER）,as well as the accumulation of contami nants on the electrode *** long-term tests,thes bifunctionalhybridelectrodesmaintained stable performance,even at a high current density o500 mA·*** cell voltage increased by only 88 m V over 1000 h to 1.970 V during saline electrolysis and by103 mV over 500 h to 2.062 V during seawater electroly ***,this study provides valuable insights into efficient and stable seawater electrolysis using NiFe LDHs–NiFe alloy hybrids.

关键词： Bifunctional Corrosion NiFe LDHs Seawater electrolysis Stability

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

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

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

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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Cobalt phosphide-based composites as anodes for lithium-ion batteries:From mechanism,preparation to performance

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Particuology 2024年第5期88卷 11-31页

作者： Bo Lan Yishan Wang Jialei Lu Dongdong Liu Chuncheng Wei Xueqian Zhang Xiaoxiao Huang Guangwu Wen school of materials science and engineering Shandong University of TechnologyZibo255000China school of materials science and engineering Harbin Institute of TechnologyHarbin150001China school of materials science and engineering Harbin Institute of TechnologyWeihai264209China

With the further requirements of electronic products and powered vehicles,the development of a new generation with low-voltage and high-capacity anode materials is crucial for lithium-ion batteries(LIBs).Transition metal phosphides,especially cobalt phosphide(CoP)composites,have become a research hotspot for LIBs anode materials in recent years due to their high theoretical specific capacity,low polarization,and suitable voltage *** review first systematically discusses the lithium storage mechanism and preparation methods of CoP in current ***,the applications of CoP anode materials in LIBs are categorically reviewed,including the composites of CoP with various types of carbon materials and ***,the challenges and future development directions of CoP anode materials are summarized to provide guidance for further improving the lithium storage performance of CoP and its practical applications.

关键词： CoP Composites Preparation Anodes Lithium-ion batteries

Increasing the toughness while reducing the viscosity of carbon nanotube/ polyether imide/polyether ether ketone nanocomposites

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新型炭材料（中英文） 2024年第4期39卷 715-728页

作者： SONG Jiu-peng ZHAO Yan LI Xue-kuan XIONG Shu LI Shuang WANG Kai school of materials science and engineering Beihang UniversityBeijing 100191China

Polyether ether ketone(PEEK)has good mechanical ***,its high viscosity when molten limits its use because it is hard to *** nanocomposites containing both carbon nanotubes(CNTs)and polyether imide(PEI)were pre-pared by a direct wet powder blending method using a vertical injection molding *** addition of an optimum amount of PEI lowered the viscosity of the molten PEEK by approximately 50%while producing an increase in the toughness of the nanocom-posites,whose strain to failure increased by 129%,and fracture energy increased by 97%.The uniformly dispersed CNT/PEI powder reduced the processing difficulty of PEEK nanocomposites without affecting the thermal *** improvement of the strength and viscosity of PEEK facilitate its use in the preparation of thermoplastic composites.

关键词： Nanocomposites Mechanical properties Rheological properties Microstructural analysis

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On-surface synthesis and characterization of polyynic carbon chains

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National science Review 2024年第3期11卷 192-199页

作者： Wenze Gao Wei Zheng Luye Sun Faming Kang Zheng Zhou Wei Xu Interdisciplinary materials Research Center School of Materials Science and Engineering Tongji University

Carbyne, an elusive sp-hybridized linear carbon allotrope, has fascinated chemists and physicists for decades. Due to its high chemical reactivity and extreme instability, carbyne was much less explored in contrast to the sp2-hybridized carbon allotropes such as graphene. Herein, we report the on-surface synthesis of polyynic carbon chains by demetallization of organometallic polyynes on the Au（111） surface;the longest one observed consists of ～60 alkyne units（120 carbon atoms）. The polyynic structure of carbon chains with alternating triple and single bonds was unambiguously revealed by bond-resolved atomic force microscopy. Moreover, an atomically precise polyyne, C14, was successfully produced via tip-induced dehalogenation and ring-opening of the decachloroanthracene molecule(C14Cl10) on a bilayer NaCl/Au（111） surface at 4.7 K, and a band gap of 5.8 eV was measured by scanning tunnelling spectroscopy,in a good agreement with the theoretical HOMO–LUMO gap（5.48 eV）.

关键词： polyyne scanning probe microscopy carbon allotrope on-surface synthesis organometallic polyyne

Cation-Anion Redox Active Organic Complex for High Performance Aqueous Zinc Ion Battery

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Energy & Environmental materials 2024年第1期7卷 64-71页

作者： Lilin Zhang Yining Chen Zongyuan Jiang Jingwei Chen Cong Wei Wenzhuo Wu Shaohui Li Qun Xu school of materials science and engineering Zhengzhou University Henan Institute of Advanced Technology Zhengzhou University school of materials science and engineering Ocean University of China

Organic redox compounds are attractive cathode materials in aqueous zincion batteries owing to their low cost,environmental friendliness,multipleelectron-transfer reactions,and resource ***,the realized energy density... 详细信息

关键词： cathode materials cyano groups electrochemical activation organic charge–transfer complex zinc-ion battery