Journal of Materials Chemistry A最新文献_第4页

Phosphonate Surface Engineering of TiO2 Quantum Dots for Highly Efficient Formic Acid Dehydrogenation 用于高效甲酸脱氢的TiO2量子点的磷酸盐表面工程

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-20 DOI: 10.1039/d6ta06531g

Christos Dimitriou,Christos Gkatziouras,Elodie Gioan,Maria Louloudi,Johan Gilbert Alauzun,Yiannis Deligiannakis

{"title":"Phosphonate Surface Engineering of TiO2 Quantum Dots for Highly Efficient Formic Acid Dehydrogenation","authors":"Christos Dimitriou,Christos Gkatziouras,Elodie Gioan,Maria Louloudi,Johan Gilbert Alauzun,Yiannis Deligiannakis","doi":"10.1039/d6ta06531g","DOIUrl":"https://doi.org/10.1039/d6ta06531g","url":null,"abstract":"Formic acid dehydrogenation (FADH) is highly potent strategy for industrial-scale H2 production at near-ambient P, T, thus development of efficient heterogeneous catalysts capable of promoting FADH is a forward-looking challenge. Herein, we demonstrate a molecular surface engineering approach to tailor anatase-TiO2 quantum dots through covalent grafting of phosphonate ligands bearing either imidazolium (Im) or diphenylphosphine (Phos) functionalities. Controlled surface-functionalization was achieved via phosphonate anchoring using either hydrothermal or microwave-assisted grafting, enabling tuning of the organic-inorganic interface.Beyond serving as surface modifiers, the phosphonate ligands regulate the local chemical environment of TiO2 by modifying the interfacial electronic structure and the distribution of catalytically accessible surface sites. Using Fe(II) as the metal-catalytic center, optimized {TiO2-QD-Phos/Fe} hybrid catalyst, achieves FADH performance with TON = 4580 and TOF = 3915 h-1. Spectroscopic and structural data allow comprehension of the role of TiO2 quantum dot size, grafting methodology, and ligand functionality as the key-factors that dictate structure-activity relationships. This demonstrating that the catalytic performance of {TiO2-QD-Phos/Fe} and {TiO2-QD-Im/Fe} originate from a synergistic interplay between TiO2 surface chemistry and the molecular architecture of the grafted phosphonate ligands. This work establishes phosphonate ligand engineering as a versatile strategy for controlling oxide surface reactivity and provides a general design platform for developing high-performance heterogeneous catalysts for hydrogen generation from liquid organic hydrogen carriers.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"22 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149225903","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

Origins of NO3RR Activity and Selectivity on Cu2O-Derived Catalysts: Interplay of Oxidation States, Surface Reconstruction, and Reaction Conditions cu20衍生催化剂上NO3RR活性和选择性的来源：氧化态、表面重构和反应条件的相互作用

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-20 DOI: 10.1039/d6ta07588f

Han Zhou,Neil Qiang Su

{"title":"Origins of NO3RR Activity and Selectivity on Cu2O-Derived Catalysts: Interplay of Oxidation States, Surface Reconstruction, and Reaction Conditions","authors":"Han Zhou,Neil Qiang Su","doi":"10.1039/d6ta07588f","DOIUrl":"https://doi.org/10.1039/d6ta07588f","url":null,"abstract":"Understanding the true active sites and structure-performance relationships of Cu-based catalysts in electrochemical nitrate reduction reaction (NO3RR) remains challenging due to the dynamic reconstruction of copper oxides under operating conditions. Herein, density functional theory calculations combined with ab initio molecular dynamics, surface Pourbaix analysis, and microkinetic simulations were employed to systematically investigate the coupled effects of catalyst reconstruction, applied potential, and pH on NO3RR over Cu2O-derived surfaces. Progressive reduction of Cu2O induces substantial structural reconstruction and generates a series of defect-rich surfaces with distinct active-site configurations. The reconstructed surfaces exhibit markedly different NO3RR mechanisms and pathway distributions, governed by the transformation behavior of key intermediates such as *NO2 + *OH. The results reveal that deeply reduced surfaces expose pentagonal defect sites and square-step sites that serve as the primary active centers for NO3RR. Importantly, NH3 selectivity is found to be predominantly determined by the active-site configuration, while the competition between NO3RR and the hydrogen evolution reaction is mainly regulated by the applied potential and pH. Moderate cathodic potentials under acidic conditions provide the optimal balance between catalytic activity and NO3RR competitiveness. This work establishes a comprehensive framework that explicitly incorporates catalyst reconstruction and operating conditions into mechanistic analysis, offering atomic-level insight into the origin of NO3RR performance on Cu2O-derived catalysts and guiding the rational design of efficient nitrate reduction electrocatalysts.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"4 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218208","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

Ru-CN/MnO type-II heterojunction photothermal catalysts for highly selective CO methanation 高选择性CO甲烷化的Ru-CN/MnO型异质结光热催化剂

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-20 DOI: 10.1039/d6ta07173b

Zhaoyang Zhang,Yanan Qiao,Xuemin Cao,Houde She,Ziqian Gao,Lei Wang,Jingwei Huang,Qizhao Wang

{"title":"Ru-CN/MnO type-II heterojunction photothermal catalysts for highly selective CO methanation","authors":"Zhaoyang Zhang,Yanan Qiao,Xuemin Cao,Houde She,Ziqian Gao,Lei Wang,Jingwei Huang,Qizhao Wang","doi":"10.1039/d6ta07173b","DOIUrl":"https://doi.org/10.1039/d6ta07173b","url":null,"abstract":"Photothermal CO2 hydrogenation synergistically integrates the merits of photo- and thermocatalysis, offering a compelling strategy for CO2 valorization. However, the intrinsic inertness of CO2, along with the convoluted multi-electron transfer pathways, imposes significant kinetic limitations on the methanation process. Herein, by mechanically grinding MnOx with ultrathin g-C3N4 that was uniformly pre-decorated with Ru nanoparticles, a type-II heterojunction photothermal catalyst, denoted as Ru-C3N4/MnOx, was successfully constructed. Under photothermal synergistic operation, the optimized composite catalyst delivered an outstanding CH4 yield of 586.7 µmol g−1 h−1 with an exceptionally high selectivity of 99.5%, representing 5.2-fold and 4.6-fold enhancements relative to those of 7Ru-C3N4 and pristine MnOx, respectively. Experimental investigation reveals that the type-II heterojunction facilitates the spatial separation of photogenerated charge carriers driven by a built-in interfacial electric field, thereby effectively suppressing deleterious electron–hole recombination. Meanwhile, the LSPR effect induced by the Ru nanoparticles enhances light harvesting and photothermal conversion efficiency, while the incorporation of MnOx further optimizes the interfacial charge migration pathways. The synergistic interplay among these three pivotal factors dramatically boosts both the catalytic activity and selectivity for the photothermal catalytic hydrogenation of CO2 to methane.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"53 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149225813","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

Carbonation-Driven Al(IV) to Al(VI) Conversion and Network Restructuring in Natural Clay-Based Alkali-Activated Binders 天然粘土基碱活化粘合剂中碳驱动Al（IV）到Al（VI）的转化和网络重构

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-20 DOI: 10.1039/d6ta04544h

Nikita Rao,Pitabash Sahoo,P S V R A Kishor,Adarsh Pathiyath,Aslam Kunhi Mohamed,Souradeep Gupta,Amrit Venkatesh,Sheetal Kumar Jain

{"title":"Carbonation-Driven Al(IV) to Al(VI) Conversion and Network Restructuring in Natural Clay-Based Alkali-Activated Binders","authors":"Nikita Rao,Pitabash Sahoo,P S V R A Kishor,Adarsh Pathiyath,Aslam Kunhi Mohamed,Souradeep Gupta,Amrit Venkatesh,Sheetal Kumar Jain","doi":"10.1039/d6ta04544h","DOIUrl":"https://doi.org/10.1039/d6ta04544h","url":null,"abstract":"Alkali-activated binders (AABs) are low-carbon footprint alternatives to ordinary Portland cement. Accelerated carbonation can further reduce CO2 emissions while enhancing the binding properties of AABs. However, the atomic-scale structural consequences of this process remain poorly resolved, particularly in multi-precursor systems incorporating soilderived clay minerals. We used multinuclear ( 27Al, 29Si, 1H, 23Na, and 43Ca) solid-state nuclear magnetic resonance (NMR) in combination with X-ray diffraction and Infrared spectroscopy to track local structural changes as a function of material precursors and carbonation of AABs in their practical conditions. 27Al and 29Si solid-state NMR show a carbonation-induced conversion of Al(IV) to Al(VI) sites along with increased branching and disorder in soil containing AABs. 1H–27Al cross-polarization NMR identify the conversion as originating at Brønsted acid sites of this framework. 1H NMR confirms the generation of bicarbonate ions upon CO2 dissolution, establishing dissolved protons as the chemical trigger for Al re-coordination. 23Na and 43Ca NMR reveal the concurrent consumption of charge-balancing Ca2+ and Na+ through carbonate precipitation, which destabilizes lower-connectivity silicate sites and drives crosslinking to Q3 and Q3(1Al) species, as confirmed by 29Si and 29Si–27Al heteronuclear correlation experiments. These results establish a molecular mechanism for carbonation in soil-containing AABs and unravel the key structural transformations using solid-state NMR. These insights into carbon sequestration in AABs and its impact on the local structures are critical to their binding properties.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"499 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149225854","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

From polymer to power: Chitosan-derived carbon materials for sustainable energy systems – Design strategies and emerging applications 从聚合物到电力：壳聚糖衍生碳材料用于可持续能源系统-设计策略和新兴应用

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-20 DOI: 10.1039/d6ta07352b

Kannan Mohan,Vivekanandan Krishnaswamy Ezhilan,A. Annam Renita,Vijayakumar Natesan,Gayathri Kaliyannan,Revathi Nagarajan,Narayanamoorthy Bhuvanendran,Sabariswaran Kandasamy

{"title":"From polymer to power: Chitosan-derived carbon materials for sustainable energy systems – Design strategies and emerging applications","authors":"Kannan Mohan,Vivekanandan Krishnaswamy Ezhilan,A. Annam Renita,Vijayakumar Natesan,Gayathri Kaliyannan,Revathi Nagarajan,Narayanamoorthy Bhuvanendran,Sabariswaran Kandasamy","doi":"10.1039/d6ta07352b","DOIUrl":"https://doi.org/10.1039/d6ta07352b","url":null,"abstract":"The increasing interest in environmentally friendly, efficient, and cost-effective products is reviving the potential of bio-based precursors as a primary source of carbon materials in sustainable energy applications. Chitosan is the second most abundant polymer in nature and is derived from the various sources of living organisms, especially from aquatic species. Chitosan has an inherent nitrogen content, various structural forms, and multiple functional groups. However, there are still more characteristic features as catalyst materials, including structure-activity, electronic properties, and electrochemical activity that need to be explored. This review aims to comprehensively emphasize the importance of material properties and the process involved in the conversion of chitosan into carbon, including its molecular structure and degree of deacetylation, thermal degradation, pyrolysis and activation strategies, and electrochemical energy conversion and storage applications. In addition, under the sustainability aspects, including eco-friendly material development, life cycle assessment, and the role of the circular economy, are discussed to highlight the significance of chitosan-derived carbon in sustainable energy systems. Overall, this review underscores the potential of chitosan-derived carbon as a promising sustainable electrode material for electrochemical energy systems, demonstrating how advanced materials engineering approaches can further enhance the catalytic performance towards clean energy technologies.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"74 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149225858","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

A Novel Fused Diketopyrrolopyrrole Non-Fullerene Acceptor Enabled MSIM Ternary Organic Photodetector for Self-Powered Broadband UV-NIR Detection and High-Speed Multilevel Optical Communication 用于自供电宽带紫外-近红外探测和高速多能级光通信的新型融合双酮吡咯非富勒烯受体MSIM三元有机光电探测器

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-20 DOI: 10.1039/d6ta06256c

Suryakant Singh,Leydi M. Moreno,Hemraj Dahiya,Juan Angel Gallego Organero,Pilar de la Cruz,Fernando Langa,Ganesh D. Sharma,Supravat Karak

{"title":"A Novel Fused Diketopyrrolopyrrole Non-Fullerene Acceptor Enabled MSIM Ternary Organic Photodetector for Self-Powered Broadband UV-NIR Detection and High-Speed Multilevel Optical Communication","authors":"Suryakant Singh,Leydi M. Moreno,Hemraj Dahiya,Juan Angel Gallego Organero,Pilar de la Cruz,Fernando Langa,Ganesh D. Sharma,Supravat Karak","doi":"10.1039/d6ta06256c","DOIUrl":"https://doi.org/10.1039/d6ta06256c","url":null,"abstract":"Self-powered organic photodetectors (OPDs) capable of broadband near-infrared (NIR) detection, rapid response, and reliable optical signal processing are highly desirable for nextgeneration optoelectronic communication technologies, yet achieving these characteristics simultaneously remains challenging. Here, a molecularly engineered fused diketopyrrolopyrrole (F-DPP)-based non-fullerene acceptor known as LM-1 is synthesised and incorporated into a PM6:Y6 host bulk heterojunction blend to realize a high-performance advance MSIM type transient ternary OPD (T-OPD). The enhanced π-conjugation and molecular planarity of LM-1 broaden the absorption profile and extend the photoresponse into the deep-NIR region. Coupled with electric-double-layer formation at the semiconductor/ionic-liquid-gel interface, the resulting device enables efficient charge separation and displacement-current-driven photodetection under zero external bias. The selfpowered T-OPD demonstrates broadband UV-NIR photodetection up to 1060 nm, ultra-low dark current, high weak-light sensitivity, and well-distinguished bipolar transient photoresponse. Rapid switching dynamics with microsecond-scale response times, a maximum -3 dB cutoff frequency of 415.69 kHz, and a signal-to-noise ratio up to 55.8 dB are achieved. Furthermore, the dual-transparent-electrode architecture enables bidirectional photodetection and reliable optical communication using both on-off keying and four-level pulse-amplitude modulation (PAM-4) across the UV-NIR spectral range. This work demonstrates a synergistic molecular-device engineering strategy for realizing broadband, low-noise, and high-speed self-powered T-OPD, providing a versatile platform for advanced optical communication, intelligent sensing, and next-generation photonic technologies.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"8 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2026-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149225862","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

Strategies to achieve 25 cm monolithic perovskite solar cells approaching the modelled efficiency limit 实现25厘米单片钙钛矿太阳能电池接近模型效率极限的策略

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-20 DOI: 10.1039/d6ta04727k

Yaomiao Feng,Laurance Papale,Bronson Philippa,Hui Jin,Oliver Lindsay,Paul L. Burn,Paul E. Shaw

引用次数: 0

In Situ Hetero-Layered Quasi-Solid-State Electrolyte Enable Enhanced Ion Transport for Safe Sodium Metal Batteries 原位异质层准固态电解质增强钠金属电池离子输运

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-19 DOI: 10.1039/d6ta06891j

Kai ang Su,Xie Fei,Haocun Guan,Xiaoqian Su,Saihua Jiang,Congling Shi,Xiaodong Qian

{"title":"In Situ Hetero-Layered Quasi-Solid-State Electrolyte Enable Enhanced Ion Transport for Safe Sodium Metal Batteries","authors":"Kai ang Su,Xie Fei,Haocun Guan,Xiaoqian Su,Saihua Jiang,Congling Shi,Xiaodong Qian","doi":"10.1039/d6ta06891j","DOIUrl":"https://doi.org/10.1039/d6ta06891j","url":null,"abstract":"Solid-state sodium metal batteries with high energy density are promising candidates for next-generation energy storage systems. Their bottleneck lies in the solid electrolytes, which must ensure flawless solid-solid contact and electrochemical compatibility with the Na anode and sufficient Na+ conductivity at room temperature. Herein, an in-situ polymerized hetero-layered quasi-solid-state electrolyte, denoted as PANO-SN, was developed by integrating a mechanically reinforced polyacrylonitrile (PAN)/Na3Zr2Si2PO12 (NZSPO) inner framework with in situ polymerized succinonitrile (SN)-based deep-eutectic interfacial layers. the resulting PANO-SN electrolyte achieves an ionic conductivity of 2.4 × 10-4 S cm-1 and an enhanced Na+ transference number of 0.61 at room temperature. When assembled Na|PANO-SN|Na symmetric cell, the batteries maintain stable Na plating/stripping for over 1200 h at 0.1 mA cm-2 with a stable polarization voltage of approximately 0.4 V. Furthermore, the Na|PANO-SN|NVP full cell delivers an excellent cyclability with 97.8% capacity retention after 400 cycles at 0.5 C. Notably, the fluoroethylene carbonate (FEC) containing deep-eutectic interfacial layer facilitates the generation of a stable NaF and Na3Nrich solid electrolyte interphase (SEI), restraining parasitic side reactions and homogenizing sodiumion flux. This work offers a rational strategy for developing mechanically robust, interfacially compatible, and ionically conductive quasi-solid-state electrolytes for high-performance sodium-metal batteries.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"33 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2026-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218253","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

Bottom-up carbon material synthesis from Ni-porphyrin with thermally polymerizable functional groups: Influence of carbon supports and application as CORR electrocatalysts 含可热聚合官能团的ni -卟啉自下而上合成碳材料：碳载体的影响及其作为CORR电催化剂的应用

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-19 DOI: 10.1039/d6ta05221e

Yuki Sano,Haruko Moteki,Miyu Tanaka,Ryojun Toyoda,Tomoki Tateishi,Shinya Takaishi,Kazuyuki Iwase,Yuta Nishina,Ryota Sakamoto

{"title":"Bottom-up carbon material synthesis from Ni-porphyrin with thermally polymerizable functional groups: Influence of carbon supports and application as CORR electrocatalysts","authors":"Yuki Sano,Haruko Moteki,Miyu Tanaka,Ryojun Toyoda,Tomoki Tateishi,Shinya Takaishi,Kazuyuki Iwase,Yuta Nishina,Ryota Sakamoto","doi":"10.1039/d6ta05221e","DOIUrl":"https://doi.org/10.1039/d6ta05221e","url":null,"abstract":"Electrochemical CO2 reduction reaction (eCO2RR) has been widely regarded as a promising approach to address environmental issues associated with rising atmospheric CO2 levels. Recently we have reported a bottom-up synthesis of carbon materials by solid-phase polymerization using functional molecules with thermopolymerizable groups as precursors. Here, by utilizing the technique, ethynyl-functionalized nickel porphyrin was employed as a molecular precursor to synthesize carbon-based catalysts, whose eCO2RR performance was systematically evaluated. Using three different carbon supports, catalysts retaining the Ni-N4 coordination structure were successfully obtained in all cases. Notably, the use of a mesoporous carbon support (CNovel® 010-00) enabled high CO selectivity and suppressed hydrogen evolution over a wide current density range of 10-100 mA cm⁻². These results demonstrate the effectiveness of this strategy for enhancing the electrocatalytic performance of metal porphyrin-based catalysts and highlight its potential for further improvement through precursor design and support optimization.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"33 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2026-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218205","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

p-Block metal-induced p–d orbital hybridization enhances the oxygen reduction performance of an Fe–N–C catalyst in zinc–air batteries p-嵌段金属诱导的p-d轨道杂化提高了Fe-N-C催化剂在锌-空气电池中的氧还原性能

IF 11.9 2区材料科学

Journal of Materials Chemistry A Pub Date : 2026-10-19 DOI: 10.1039/d6ta06630e

Xiaogeng Feng,Xiaotong Jing,Haiying Dong,Junhao Liu,Ruize Yin,Weijun Shan,Ying Xiong

{"title":"p-Block metal-induced p–d orbital hybridization enhances the oxygen reduction performance of an Fe–N–C catalyst in zinc–air batteries","authors":"Xiaogeng Feng,Xiaotong Jing,Haiying Dong,Junhao Liu,Ruize Yin,Weijun Shan,Ying Xiong","doi":"10.1039/d6ta06630e","DOIUrl":"https://doi.org/10.1039/d6ta06630e","url":null,"abstract":"Novel catalysts featuring a metal–nitrogen–carbon (M–N–C) structure have demonstrated significant application potential in the field of oxygen reduction electrocatalysis, offering broad prospects for advancing energy conversion devices such as fuel cells and metal–air batteries. A dual-metal iron–indium catalyst (FeIn/NC) was successfully prepared by a controlled pyrolysis strategy using a polydopamine-coated metal–organic framework (MOF) as the precursor in this study. This catalyst shows excellent oxygen reduction activity in alkaline solution (E1/2: 0.863 V; JL: 6.84 mA cm−2), matching the catalytic level of commercial Pt/C. Theoretical calculations further indicate that strong p–d orbital hybridization occurs between the Fe 3d orbitals and the In 5p orbitals. This electronic coupling effectively modulates the electronic structure of the catalyst and the position of the d-band center, optimizing the adsorption energies of ORR intermediates and thereby enhancing the intrinsic ORR activity. Furthermore, excellent performance is observed for the zinc–air battery (ZAB) constructed with FeIn/NC, which shows a power density of up to 119.34 mW cm−2 and a specific capacity of 794 mA h g−1. This research confirms that the p–d orbital hybridization strategy can enhance catalytic performance and provides a crucial experimental basis and design ideas toward the exploitation of innovative high-activity oxygen electrocatalytic materials.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"4 1","pages":""},"PeriodicalIF":11.9,"publicationDate":"2026-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149218215","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