ACS Energy Letters 最新文献_第2页

Covalent-Bond Engineering Stabilizes Layered Oxide Cathodes for Sodium-Ion Batteries 共价键工程稳定钠离子电池层状氧化物阴极

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-11-04 DOI: 10.1021/acsenergylett.6c02456

Dilxat Muhtar,Weixin Chen,Yuansheng Shi,Xiangjie Yang,Kaili Li,Duoduo Zhang,Zhiling Liu,Xueyi Lu,Xia Lu

{"title":"Covalent-Bond Engineering Stabilizes Layered Oxide Cathodes for Sodium-Ion Batteries","authors":"Dilxat Muhtar,Weixin Chen,Yuansheng Shi,Xiangjie Yang,Kaili Li,Duoduo Zhang,Zhiling Liu,Xueyi Lu,Xia Lu","doi":"10.1021/acsenergylett.6c02456","DOIUrl":"https://doi.org/10.1021/acsenergylett.6c02456","url":null,"abstract":"Developing practicable layered oxide cathodes remains a critical challenge for sodium-ion batteries. Here, by systematically varying Cu contents to tune TM–O covalency in Nay[CuxFe3/9Mn(6/9–x)]O2, we show that an optimal degree of covalency simultaneously boosts energy density and structural resilience. The optimized Na7/9[Cu2/9Fe3/9Mn4/9]O2 delivers 131.6 mAh g–1 at 0.1 C and retains 80% capacity after 500 cycles at 0.5 C. Mechanistically, the enhanced Cu–O covalency converts trivalent Cu from a conventional d8 to a heavily mixed d9L configuration, delocalizing holes across the extended TM–O network, enlarging polaron size, and “flattening the ripple” of local lattice distortions. Side-by-side comparison with an ionic Ni analogue confirms the suppressed cation migration and polarization. Crucially, the covalency-driven stabilization is not unbounded–excessive covalency rigidifies the lattice, defining a covalency threshold for optimal performance. These findings establish covalency modulation within a defined threshold as a predictive design principle for durable layered oxide cathodes.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"18 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149359271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

When Literature Data Can Mislead Artificial Intelligence in Materials Discovery 当文献数据在材料发现中误导人工智能时

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-11-04 DOI: 10.1021/acsenergylett.6c02891

Qian Wang,Ying Li,Ryuhei Sato,Hidemi Kato,Shin-ichi Orimo,Hao Li,Eric Jianfeng Cheng

引用次数: 0

Implications for CO2 Reduction: Methanol Formation by Reaction of Benzimidazole Hydrides with Inorganic Oxide Materials 二氧化碳还原的意义：苯并咪唑氢化物与无机氧化物反应生成甲醇

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-11-04 DOI: 10.1021/acsenergylett.6c02466

Joseph J. Kuchta III,Andressa V. Müller,Javier J. Concepcion,Gerald J. Meyer

引用次数: 0

Microscopic Intricacies of Self-Healing in Halide Perovskite–Charge-Transport-Layer Heterostructures 卤化物钙钛矿-电荷-传输层异质结构中自我修复的微观复杂性

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-11-03 DOI: 10.1021/acsenergylett.6c02677

Tejmani Behera,Boris Louis,Lukas Paesen,Koki Asano,Jim Jui-Kai Chen,Roel Vanden Brande,Feili Lai,Martin Vacha,Maarten Roeffaers,Elke Debroye,Johan Hofkens,Sudipta Seth

{"title":"Microscopic Intricacies of Self-Healing in Halide Perovskite–Charge-Transport-Layer Heterostructures","authors":"Tejmani Behera,Boris Louis,Lukas Paesen,Koki Asano,Jim Jui-Kai Chen,Roel Vanden Brande,Feili Lai,Martin Vacha,Maarten Roeffaers,Elke Debroye,Johan Hofkens,Sudipta Seth","doi":"10.1021/acsenergylett.6c02677","DOIUrl":"https://doi.org/10.1021/acsenergylett.6c02677","url":null,"abstract":"The operational stability of halide perovskite photovoltaics is critically limited by progressive defect generation and nonradiative losses. Self-healing of defects offers a promising route to sustained performance, yet the coupled microscopic processes underlying it remain poorly understood, particularly at device-relevant interfaces. Here, we elucidate self-healing and defect evolution in photodamaged triple-cation mixed-halide (TCMH) perovskite films and their device-relevant charge-transport-layer (CTL) heterostructures. Using correlation clustering imaging (CLIM), our recently developed microscopic functional imaging tool, we map spatiotemporal photoluminescence heterogeneity to track defect dynamics. Each CTL distinctly modulates local trap activity, healing kinetics, and spectral redistribution in the TCMH layer, and the heterostructures exhibit faster optical recovery than pristine films, beneficial for device resilience. Healing follows biphasic kinetics, with fast electronic relaxation over minutes to tens of minutes and slower ionic redistribution and lattice relaxation over hours. Although quantitative device stability improvements are not established here, these microscopic insights into dynamic evolution of defects and ion redistribution at interfaces provide a framework for rationally designing stable perovskite optoelectronics.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"1 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149305089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Reconfiguring Quinone Cathodes via Transition Metal Coordination for Advanced Calcium Batteries 利用过渡金属配位重新配置醌阴极用于高级钙电池

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-11-03 DOI: 10.1021/acsenergylett.6c02552

Fanbin Zeng,Sanlue Hu,Mengzi Geng,Siqi Zhang,Yao Liu,Chunzhen Yang,Cuiping Han,Biao Zhang

{"title":"Reconfiguring Quinone Cathodes via Transition Metal Coordination for Advanced Calcium Batteries","authors":"Fanbin Zeng,Sanlue Hu,Mengzi Geng,Siqi Zhang,Yao Liu,Chunzhen Yang,Cuiping Han,Biao Zhang","doi":"10.1021/acsenergylett.6c02552","DOIUrl":"https://doi.org/10.1021/acsenergylett.6c02552","url":null,"abstract":"Calcium-ion batteries (CIBs) are promising for next-generation energy storage. However, their development is hindered by the lack of high-performance cathode materials. Organic carbonyl compounds possess structural flexibility and redox activity, yet their overall energy density remains fundamentally constrained. Here, we report a molecular engineering strategy to prepare metal (Cu and Ni)-coordinated quinone cathodes. The incorporation of transition-metal centers reconfigures the conjugated molecular framework, simultaneously enhancing reversible capacity and operating voltage. The optimized cathodes deliver reversible capacities of up to 203 mAh g–1 at an average voltage of ∼3.1 V vs Ca2+/Ca, corresponding to an energy density exceeding 600 Wh kg–1. Mechanistic investigations based on in situ characterizations and theoretical calculations reveal a bipolar charge-storage mechanism involving Ca2+ coordination with the carbonyl and imine sites during discharge and TFSI– storage at high charging potentials. This metal-coordination strategy provides a promising strategy for developing high-energy multivalent battery systems.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"1 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149305096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

UV Exposure and Durability of Emerging Photovoltaics: Quantifying and Reporting Outdoor UV Doses 新兴光伏的紫外线暴露和耐久性：量化和报告户外紫外线剂量

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-11-02 DOI: 10.1021/acsenergylett.6c02742

Robert Witteck,Duong Nguyen Minh,Michael Owen-Bellini,Joseph M. Luther,Laura T. Schelhas

引用次数: 0

Diagnosis of Mechanisms of Kinetics in Lithium-Rich Manganese-Based Cathode Materials 富锂锰基正极材料动力学机理研究

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-11-02 DOI: 10.1021/acsenergylett.6c02146

Dongye Liu,Jiantuo Gan,Xu Xue,Zhijun Wu,Shengnan He,Chao Zheng,Chenchen Li,Yaxiong Yang,Yanxia Liu,Wubin Du,Fulai Qi,Mingxia Gao,Hongge Pan

引用次数: 0

Transference Number of Electrolytes at Infinite Dilution 电解质在无限稀释下的转移数

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-10-31 DOI: 10.1021/acsenergylett.6c02281

Zirong He,Jeong Seop Yoon,Venkat Srinivasan,Nitash P. Balsara

引用次数: 0

Ultralow Deposition Potential and Antisite-Boosted Diffusivity of Li3Ga2 Anode for All-Solid-State Batteries 全固态电池用Li3Ga2负极的超低沉积电位和反位增强扩散系数

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-10-31 DOI: 10.1021/acsenergylett.6c02308

Guoyong Xue,Zhe-Tao Sun,Shiwei Chen,Jie Lu,Yirui Fu,Guokang Chen,Chu Lu,Yanming Cui,Chenji Hu,Shou-Hang Bo,Linsen Li,Fuqiang Huang,Ziyang Ning,Chuying Ouyang,Kai Wu,Liwei Chen

{"title":"Ultralow Deposition Potential and Antisite-Boosted Diffusivity of Li3Ga2 Anode for All-Solid-State Batteries","authors":"Guoyong Xue,Zhe-Tao Sun,Shiwei Chen,Jie Lu,Yirui Fu,Guokang Chen,Chu Lu,Yanming Cui,Chenji Hu,Shou-Hang Bo,Linsen Li,Fuqiang Huang,Ziyang Ning,Chuying Ouyang,Kai Wu,Liwei Chen","doi":"10.1021/acsenergylett.6c02308","DOIUrl":"https://doi.org/10.1021/acsenergylett.6c02308","url":null,"abstract":"Existing alloy anodes suffer from high redox potentials and sluggish Li atomic kinetics, limiting the energy density and rate capability of all-solid-state lithium batteries (ASSLBs). Herein, we report a well-designed Li3Ga2 alloy anode that simultaneously delivers an ultralow Li deposition potential (0.007 V vs. Li+/Li) and fast Li atomic diffusion kinetics (2.0 × 10–8 cm2 s–1). The high Li atomic diffusivity primarily originates from moderate Li/Ga antisite mixing, stabilizing the anode-solid electrolyte interface and enabling a high critical current density of 24 mA cm–2 in ASSLBs. Coupled with a LiCoO2 cathode, the ASSLB delivers a high initial Coulombic efficiency of 96.5% and an ultralong cycle life of 2000 cycles at room temperature, with a high output voltage of 3.84 V, outperforming state-of-the-art alloy-based counterparts. A practical all-solid-state pouch cell employing the LiNi0.8Co0.1Mn0.1O2 cathode also delivers outstanding cycling stability. This work redefines alloy anode design principles through synergistic optimization of Li deposition potential and Li atomic diffusivity.","PeriodicalId":16,"journal":{"name":"ACS Energy Letters ","volume":"11 1","pages":""},"PeriodicalIF":22.0,"publicationDate":"2026-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149303326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Solvent Dipole Engineering Enables Large Quantum Dot Processing for Scalable Short-Wave Infrared Optoelectronics 溶剂偶极子工程实现可扩展短波红外光电子的大量子点处理

IF 22 1区材料科学

ACS Energy Letters Pub Date : 2026-10-30 DOI: 10.1021/acsenergylett.6c01776

Raquel Dantas Campos,Kashimul Hossain,Anatol Prudnikau,Ruth Pinheiro Muniz,Lucas Scalon,Shivam Singh,Vladimir V. Shilovskikh,Herman Heffner,Julius Brunner,Petr Formanek,Ignacio López-Corral,Fabian Paulus,Yana Vaynzof

引用次数: 0