Materials Chemistry Frontiers最新文献

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Self-supporting Fe7S8 microsphere/N-doped carbonized silk textile for high-performance sodium-ion batteries† 高性能钠离子电池用自支撑Fe7S8微球/掺n碳化丝织品
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-28 DOI: 10.1039/D5QM00190K
Zhilong Yan, Rong Liu, Zhiwen Long, Ruizhe Zhang, Ke Liu, Wei Li, Keliang Wang and Hui Qiao
{"title":"Self-supporting Fe7S8 microsphere/N-doped carbonized silk textile for high-performance sodium-ion batteries†","authors":"Zhilong Yan, Rong Liu, Zhiwen Long, Ruizhe Zhang, Ke Liu, Wei Li, Keliang Wang and Hui Qiao","doi":"10.1039/D5QM00190K","DOIUrl":"https://doi.org/10.1039/D5QM00190K","url":null,"abstract":"<p >High-performance sodium-ion batteries (SIBs) represent an optimal energy solution for flexible wearable devices, with the design and development of advanced anodes being crucial in determining their overall performance. A major challenge for flexible electrodes is achieving both high energy density and long-term cycle stability. To address these issues, a Fe<small><sub>7</sub></small>S<small><sub>8</sub></small> microsphere/N-doped carbonized silk textile as a self-supporting anode for SIBs is developed. Fe<small><sub>7</sub></small>S<small><sub>8</sub></small> microspheres are anchored onto a three-dimensional carbon network derived from silk fabric <em>via</em> electrostatic adsorption followed by calcination. The as-prepared flexible self-supporting Fe<small><sub>7</sub></small>S<small><sub>8</sub></small> microsphere/N-doped carbonized silk textile demonstrates exceptional mechanical durability, maintaining structural integrity and stable resistance after 2000 bending cycles. Electrochemical performance shows a notable areal capacity of 1.42 mA h cm<small><sup>−2</sup></small> at 0.3 mA cm<small><sup>−2</sup></small>, along with impressive cycling stability. After 600 cycles at 5 mA cm<small><sup>−2</sup></small>, it maintains 0.39 mA h cm<small><sup>−2</sup></small>, with a modest capacity loss of 21% at high current density. It also demonstrates excellent rate performance, achieving reversible capacities of 1.67, 1.32, 1.12, 0.87, 0.71 and 0.37 mA h cm<small><sup>−2</sup></small> at current densities of 0.1, 0.3, 0.5, 1, 2 and 5 mA cm<small><sup>−2</sup></small>, respectively. The microsphere structure of Fe<small><sub>7</sub></small>S<small><sub>8</sub></small> ensures extensive contact with the electrolyte, enhancing ion accessibility and structural stability. The carbonized silk textile provides higher flexibility, which helps alleviate strain during deformation. Simultaneously, the N-doped carbon network derived from silk fabric offers additional Na<small><sup>+</sup></small> adsorption sites, and facilitates efficient electron and ion transport. Moreover, the excellent mechanical flexibility of the electrode offers promising prospects for its potential application in flexible wearable electronic devices.</p>","PeriodicalId":86,"journal":{"name":"Materials Chemistry Frontiers","volume":" 11","pages":" 1747-1757"},"PeriodicalIF":6.0,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140065","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
B-site cation sequencing in SrMnO3 using iron for zinc–air battery electrocatalysis: a structural evaluation† 铁在锌-空气电池电催化SrMnO3中的b位阳离子测序:结构评价
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-28 DOI: 10.1039/D5QM00268K
Carolin Mercy Enoch, Sagar Ingavale, Prabakaran Varathan, Akhila Kumar Sahu and Anita Swami
{"title":"B-site cation sequencing in SrMnO3 using iron for zinc–air battery electrocatalysis: a structural evaluation†","authors":"Carolin Mercy Enoch, Sagar Ingavale, Prabakaran Varathan, Akhila Kumar Sahu and Anita Swami","doi":"10.1039/D5QM00268K","DOIUrl":"https://doi.org/10.1039/D5QM00268K","url":null,"abstract":"<p >An unprecedented approach for synthesizing strontium manganese perovskite oxides (ABO<small><sub>3</sub></small>) and their B-site substituted variants (SrMn<small><sub>1−<em>x</em></sub></small>Fe<small><sub><em>x</em></sub></small>O<small><sub>3</sub></small>) was employed using the molten salt synthesis route. This study aims to investigate the intrinsic property changes of perovskite oxide materials and their electrochemical response, particularly in the bifunctional oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Systematic substitution at the B-site induces a phase transition from hexagonal to trigonal, and then to orthorhombic, which was confirmed through Rietveld refinement of XRD data, along with SEM, TEM and XPS analyses. The multiple oxidation states of manganese (Mn<small><sup>3+</sup></small>/Mn<small><sup>4+</sup></small>) and iron (Fe<small><sup>3+</sup></small>/Fe<small><sup>2+</sup></small>) at the B-site play a crucial role in redox reactions. Furthermore, the orthorhombic brownmillerite phase (Sr<small><sub>2</sub></small>MnFeO<small><sub>5</sub></small>) promotes the ORR even without conductive support, which is attributed to its intrinsic conductivity stemming from the specific distribution of oxygen vacancies. The favorable adsorption/desorption energies of oxygen intermediates are a result of regulated electron filling in the d orbitals. The SrMn<small><sub>0.7</sub></small>Fe<small><sub>0.3</sub></small>O<small><sub>3</sub></small> variant was evaluated as a bifunctional electrocatalyst, showing an onset potential of 0.99 V <em>vs.</em> RHE for the ORR, and demonstrated excellent performance in rechargeable zinc–air batteries (ZABs), with a high peak power density of 114 mW cm<small><sup>−2</sup></small> and a long cycle life of over 262 hours, exhibiting a specific capacity of 680 mA h g<small><sup>−1</sup></small>. The unique structural properties of SrMn<small><sub>0.7</sub></small>Fe<small><sub>0.3</sub></small>O<small><sub>3</sub></small> make it a promising candidate for ZAB applications.</p>","PeriodicalId":86,"journal":{"name":"Materials Chemistry Frontiers","volume":" 11","pages":" 1758-1771"},"PeriodicalIF":6.0,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140066","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Oxygen-vacancy-rich MOF-derived amorphous Fe–Co–Se–O electrocatalyst for boosting the alkaline oxygen evolution reaction† 富氧mof衍生无定形Fe-Co-Se-O电催化剂促进碱性析氧反应†
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-23 DOI: 10.1039/D5QM00156K
He Zheng, Ziqi Zhang, Yuxin Liu, Shuzhe Zhang, Yong Zhou, Zhe Zhang, Ruige Zhang, Zhan Shi, Chunguang Li and Shouhua Feng
{"title":"Oxygen-vacancy-rich MOF-derived amorphous Fe–Co–Se–O electrocatalyst for boosting the alkaline oxygen evolution reaction†","authors":"He Zheng, Ziqi Zhang, Yuxin Liu, Shuzhe Zhang, Yong Zhou, Zhe Zhang, Ruige Zhang, Zhan Shi, Chunguang Li and Shouhua Feng","doi":"10.1039/D5QM00156K","DOIUrl":"https://doi.org/10.1039/D5QM00156K","url":null,"abstract":"<p >Electrochemical water splitting has been a major focus among researchers due to the degradation of fossil fuels. Here, we successfully synthesized an amorphous Fe–Co–Se–O-300 catalyst derived from the precursor FeSe<small><sub>2</sub></small>@ZIF-67, featuring abundant oxygen vacancies (V<small><sub>O</sub></small>), through a combination of ambient temperature stirring, hydrothermal treatment and high-temperature annealing. The Fe–Co–Se–O-300 catalyst required only an overpotential of 280 mV to achieve a current density of 10 mA cm<small><sup>−2</sup></small>. Electron paramagnetic resonance (EPR) testing confirmed the presence of oxygen vacancies. The X-ray photoelectron spectroscopy (XPS) analysis also confirmed the existence of V<small><sub>O</sub></small> and revealed that during the OER process, electrons transferred from the Fe species to the V<small><sub>O</sub></small> species and then to the Co species. As a result, the Fe–Co–Se–O-300 catalyst contained more Co<small><sup>2+</sup></small> and Fe<small><sup>3+</sup></small> species, which enhanced its OER performance. The <em>in situ</em> Raman spectra indicated that the Se species were oxidized to SeO<small><sub>3</sub></small><small><sup>2−</sup></small> due to the presence of V<small><sub>O</sub></small>. Further experiments revealed that the surface-absorbed SeO<small><sub>3</sub></small><small><sup>2−</sup></small> greatly improved the OER performance of the catalyst. In conclusion, the large number of oxygen vacancies modified the electronic structure of the catalyst and oxidized the Se species, both of which contributed to the enhancement of the OER performance. This work offers an energy-efficient approach for synthesizing non-precious metal catalysts with oxygen vacancies to catalyze the OER process more efficiently.</p>","PeriodicalId":86,"journal":{"name":"Materials Chemistry Frontiers","volume":" 11","pages":" 1726-1736"},"PeriodicalIF":6.0,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140063","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Designing infrared nonlinear optical crystals, Sr2MgSn2OS6 and Sr2SnGa2OS6, with hybrid anionic frameworks via a double substitution strategy† 采用双取代策略设计具有混合阴离子框架的Sr2MgSn2OS6和Sr2SnGa2OS6红外非线性光学晶体
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-22 DOI: 10.1039/D5QM00059A
Zhen Qian, Deman Kong, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang and Yicheng Wu
{"title":"Designing infrared nonlinear optical crystals, Sr2MgSn2OS6 and Sr2SnGa2OS6, with hybrid anionic frameworks via a double substitution strategy†","authors":"Zhen Qian, Deman Kong, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang and Yicheng Wu","doi":"10.1039/D5QM00059A","DOIUrl":"https://doi.org/10.1039/D5QM00059A","url":null,"abstract":"<p >Infrared nonlinear optical (IR NLO) crystals are crucial for advancing laser technology; however, designing and synthesizing high-performance IR NLO materials remain challenging. Heteroanionic materials effectively integrate the advantages of single-anionic counterparts, offering a promising route for synthesizing high-performance IR NLO materials. Herein, two novel heteroanionic oxychalcogenide IR NLO crystals, Sr<small><sub>2</sub></small>MgSn<small><sub>2</sub></small>OS<small><sub>6</sub></small> and Sr<small><sub>2</sub></small>SnGa<small><sub>2</sub></small>OS<small><sub>6</sub></small>, are synthesized by a double substitution strategy based on the single-anionic oxide Sr<small><sub>2</sub></small>MgSi<small><sub>2</sub></small>O<small><sub>7</sub></small>. They exhibit excellent optical performance, including a large phase-matched (PM) second harmonic generation (SHG) response (2 × AgGaS<small><sub>2</sub></small>), a wide optical band gap (<em>E</em><small><sub>g</sub></small> &gt; 3.0 eV), a large birefringence (Δ<em>n</em> = 0.128–0.173), and a high laser-induced damage threshold (7 × AgGaS<small><sub>2</sub></small>). The structure–performance relationship analysis indicates that these excellent performances are mainly attributed to the hybridized functional moieties. These findings strongly indicate the potential of these materials as suitable IR NLO candidates, and the strategy of double substitution proves to be effective for designing novel high-performance NLO crystals.</p>","PeriodicalId":86,"journal":{"name":"Materials Chemistry Frontiers","volume":" 11","pages":" 1737-1746"},"PeriodicalIF":6.0,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Laser direct writing–electrochemical anodizing composite manufacturing biomimetic superwetting multifunctional surfaces† 激光直写-电化学阳极氧化复合材料制造仿生超湿多功能表面
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-18 DOI: 10.1039/D5QM00147A
Pengcheng Yan, Yuanyuan Hou, Naizhen Sun, Mengran Yu, Yongling Wu, Mingming Liu and Hongyu Zheng
{"title":"Laser direct writing–electrochemical anodizing composite manufacturing biomimetic superwetting multifunctional surfaces†","authors":"Pengcheng Yan, Yuanyuan Hou, Naizhen Sun, Mengran Yu, Yongling Wu, Mingming Liu and Hongyu Zheng","doi":"10.1039/D5QM00147A","DOIUrl":"https://doi.org/10.1039/D5QM00147A","url":null,"abstract":"<p >In recent years, superwetting functional protective surfaces owing to their exceptional wetting properties have attracted significant attention for their promising applications in anti-icing, corrosion protection, lubrication, and friction reduction. However, these surfaces still face critical challenges, including poor wetting stability, low structural strength, and lubricant leakage. Inspired by the papillary structure of lotus leaves and the high-strength honeycomb-like porous architecture, we employed a laser direct writing technique to fabricate a micropillar array on L-Al, which was subsequently combined with an anodized honeycomb nanostructure, L-AAO. This surface was further modified with organofluorosilane to achieve a superhydrophobic surface, L-AAO@PFOTS, which was then infused with a perfluoropolyether lubricant, resulting in a slippery liquid-infused porous surface, L-AAO@PFOTS@PFPE (SLIPS). A systematic experimental study was conducted to investigate the influence of laser processing parameters, anodizing conditions, and structural parameters on the physical morphology, chemical composition and wettability. Furthermore, the collision behavior and interfacial heat transfer process of supercooled droplets are simulated by COMSOL. Finally, the anti-icing, corrosion resistance, and long-term service stabilities of superhydrophobic surfaces and SLIPS were assessed. This study offers important insights into the development of SLIPS in corrosion protection and lubrication applications for engineering materials in aerospace, marine, and other industries.</p>","PeriodicalId":86,"journal":{"name":"Materials Chemistry Frontiers","volume":" 11","pages":" 1772-1783"},"PeriodicalIF":6.0,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Interfacial engineering of a Ni3ZnC0.7/VN heterostructure with optimized dual metal sites for alkaline electrocatalytic hydrogen evolution† 双金属位Ni3ZnC0.7/VN异质结构碱性电催化析氢界面工程研究
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-16 DOI: 10.1039/D5QM00113G
Liangliang Feng, Kaikai Zhao, Lina Dai, Danyang He, Hongyan Yin, Yonghui Zhang, Jingyi Chen, Liyun Cao and Jianfeng Huang
{"title":"Interfacial engineering of a Ni3ZnC0.7/VN heterostructure with optimized dual metal sites for alkaline electrocatalytic hydrogen evolution†","authors":"Liangliang Feng, Kaikai Zhao, Lina Dai, Danyang He, Hongyan Yin, Yonghui Zhang, Jingyi Chen, Liyun Cao and Jianfeng Huang","doi":"10.1039/D5QM00113G","DOIUrl":"https://doi.org/10.1039/D5QM00113G","url":null,"abstract":"<p >Bimetallic carbide electrocatalysts have been proven to hold great promise for the electrochemical hydrogen evolution reaction (HER). Nevertheless, the effective upgrading of bimetallic carbides for the HER is hampered due to the lack of efficient strategies for the modulation of catalytically active sites. Herein, a novel heterostructured electrocatalyst, comprising Ni<small><sub>3</sub></small>ZnC<small><sub>0.7</sub></small>/VN nanoparticles embedded into N-doped carbon nanotubes (Ni<small><sub>3</sub></small>ZnC<small><sub>0.7</sub></small>/VN@CNTs), is successfully synthesized <em>via</em> a one-step straightforward calcination protocol. Theoretical and experimental results demonstrate that the synergistic coupling of Ni<small><sub>3</sub></small>ZnC<small><sub>0.7</sub></small> and VN not only enhances the density of interfacial active sites, but also triggers a redistribution of interfacial charges, driven by the work function difference between the two components. This leads to the generation of abundant high-activity Ni–V bridge sites, thereby effectively reducing the H* adsorption–desorption energy barriers and expediting the HER kinetics of Ni<small><sub>3</sub></small>ZnC<small><sub>0.7</sub></small>/VN@CNTs. The as-obtained Ni<small><sub>3</sub></small>ZnC<small><sub>0.7</sub></small>/VN@CNTs require a remarkably low overpotential of 124 mV to achieve a current density of 10 mA cm<small><sup>−2</sup></small> without iR-compensation for the HER, and exhibit outstanding long-term stability for at least 600 h in 1.0 M KOH solution. This work provides a pioneering optimized tactic of dual metal sites for exploiting high-performance bimetallic carbide electrocatalysts that can facilitate the production of sustainable hydrogen.</p>","PeriodicalId":86,"journal":{"name":"Materials Chemistry Frontiers","volume":" 10","pages":" 1596-1608"},"PeriodicalIF":6.0,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143938046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MOF electrocatalysts in CO2 conversion: critical analysis of research trends, challenges and prospects 二氧化碳转化中的MOF电催化剂:研究趋势、挑战和前景的批判性分析
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-15 DOI: 10.1039/D4QM01060D
Oriyomi Ogunbanjo, Paramaconi Rodríguez and Paul Anderson
{"title":"MOF electrocatalysts in CO2 conversion: critical analysis of research trends, challenges and prospects","authors":"Oriyomi Ogunbanjo, Paramaconi Rodríguez and Paul Anderson","doi":"10.1039/D4QM01060D","DOIUrl":"https://doi.org/10.1039/D4QM01060D","url":null,"abstract":"<p >Achieving sustainable energy and a clean environment is a strong driving force behind the exploration of the electrocatalytic potential of MOFs for CO<small><sub>2</sub></small> conversion. The growing interest in the application of MOFs as electrocatalysts for CO<small><sub>2</sub></small>RR has been attributed to their high surface area and excellent catalytic properties. MOFs have been deployed in their pristine form as catalysts, as porous cavity supports for the incorporation of catalytic active material, or as precursors to obtain single-atom catalysts, showing that they can reduce CO<small><sub>2</sub></small> into CO, formic acid and even hydrocarbons and alcohols. Despite these advantages and promising early results, they still have several challenges to overcome, such as poor electrical conductivity, stability and selectivity, and high overpotential, which would limit their practical application as electrocatalysts for CO<small><sub>2</sub></small> reduction. In this review, various strategies to improve the electrocatalytic performance of MOFs are highlighted and directions that future studies in this field may take identified.</p>","PeriodicalId":86,"journal":{"name":"Materials Chemistry Frontiers","volume":" 11","pages":" 1650-1680"},"PeriodicalIF":6.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/qm/d4qm01060d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Machine-learning enables nitrogen reduction reaction on transition metal doped C3B by controlling the charge states† 机器学习通过控制电荷态†实现了在掺杂C3B过渡金属上的氮还原反应
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-15 DOI: 10.1039/D5QM00140D
Chengwei Yang, Chao Yang, Yunxia Liang, Hongxia Yan, Aodi Zhang, Guixian Ge, Wentao Wang and Pengfei Ou
{"title":"Machine-learning enables nitrogen reduction reaction on transition metal doped C3B by controlling the charge states†","authors":"Chengwei Yang, Chao Yang, Yunxia Liang, Hongxia Yan, Aodi Zhang, Guixian Ge, Wentao Wang and Pengfei Ou","doi":"10.1039/D5QM00140D","DOIUrl":"https://doi.org/10.1039/D5QM00140D","url":null,"abstract":"<p >Transition metal (TM)-doped monolayer semiconductors have attracted significant attention as electrocatalysts for various applications. However, conventional density functional theory calculations often yield inaccurate predictions due to the omission of charge states, due to which extensive efforts to explore promising electrocatalysts are in vain. Here, we report a computational pipeline for high-throughput screening that combines charge-state-aware DFT calculations for stability and activity predictions with machine learning (ML)-enabled feature and mechanism analysis. Applying this pipeline to a TM-doped C<small><sub>3</sub></small>B monolayer (TM@C<small><sub>3</sub></small>B) to search for potential nitrogen reduction reaction (NRR) electrocatalysts, we initially identified 92 types of stable charge states of TM@C<small><sub>3</sub></small>B under B-rich conditions. By considering both activity and selectivity, we identified V<small><sub>C</sub></small>@C<small><sub>3</sub></small>B (V-doped at the C site in either the 0 or +1 charge state) as a promising candidate, which exhibited both low limiting potentials and excellent selectivity for the NRR. Further ML analysis of the N<small><sub>2</sub></small> adsorption energy and the first and last hydrogenation steps of TM@C<small><sub>3</sub></small>B revealed that charge transfer and the d-band center are critical factors governing NRR performance, both of which can be modulated by the different charge states. This study highlights the necessity of charge state calculations in electrochemical reaction modeling, paving a new pathway for the rational design of high-performance NRR electrocatalysts.</p>","PeriodicalId":86,"journal":{"name":"Materials Chemistry Frontiers","volume":" 11","pages":" 1681-1689"},"PeriodicalIF":6.0,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exceptional mechanical robust and self-healable rosin-based elastomer through high steric hindrance rigid structures† 卓越的机械稳健和自我修复松香为基础的弹性体通过高空间位阻刚性结构†
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-11 DOI: 10.1039/D5QM00127G
Yuehan Qian, Shanling Lu, Yunmeng Jiang, Xu Xu, Fei Fu, Xujuan Huang, Hongxiao Wang and He Liu
{"title":"Exceptional mechanical robust and self-healable rosin-based elastomer through high steric hindrance rigid structures†","authors":"Yuehan Qian, Shanling Lu, Yunmeng Jiang, Xu Xu, Fei Fu, Xujuan Huang, Hongxiao Wang and He Liu","doi":"10.1039/D5QM00127G","DOIUrl":"https://doi.org/10.1039/D5QM00127G","url":null,"abstract":"<p >The outstanding mechanical properties and self-healing properties of materials are theoretically mutually exclusive, so developing elastomers that combine these two characteristics is a significant challenge. Herein, a high-strength, tough, and room-temperature self-healing rosin-based polyurethane thermoplastic elastomer with a stress of 45.25 MPa, a substantial fracture strain of 1647%, and a superior toughness of 326.65 MJ m<small><sup>−3</sup></small> was prepared by molecular design. The introduction of rosin increases the free volume of polyurethane network segments, thereby promoting the breaking and recombination of molecular interactions. This innovative design enables the material to exhibit good ductility and room temperature self-healing properties. At the same time, the introduction of the rosin structure enhances the interaction force between segments, thereby significantly improving the mechanical properties of the material. Finally, a sensor constructed using the elastomer and liquid metal could detect human torso movements. This study presents a viable strategy for the future development of polymers that possess both room-temperature self-healing capabilities and excellent mechanical properties through the utilization of rosin.</p>","PeriodicalId":86,"journal":{"name":"Materials Chemistry Frontiers","volume":" 10","pages":" 1559-1567"},"PeriodicalIF":6.0,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143938039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Correction: Low-temperature activable, carbon dioxide based, highly adhesive and degradable oligo-urethane and its potential application as an auto-detachable dressing 更正:低温可活化,二氧化碳基,高粘性和可降解的低聚氨基甲酸乙酯及其作为自动可拆卸敷料的潜在应用
IF 6 2区 材料科学
Materials Chemistry Frontiers Pub Date : 2025-04-09 DOI: 10.1039/D5QM90021B
Chunjun Zhao, Ruoyu Zhang, Shuai Han, Xiaowen Yan, Keyu Zhao, Xiaoxia Zhu and Lijing Han
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