Energy Storage Materials最新文献

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Enhancing chemomechanical stability and high-rate performance of nickel-rich cathodes for lithium-ion batteries through three-in-one modification 通过三合一改性提高锂离子电池富镍阴极的化学机械稳定性和高倍率性能
IF 18.9 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-06 DOI: 10.1016/j.ensm.2024.103893
Cong Li , Jinzhong Liu , Yuefeng Su , Jinyang Dong , Hongyun Zhang , Meng Wang , Yibiao Guan , Kang Yan , Na Liu , Yun Lu , Ning Li , Yu Su , Feng Wu , Lai Chen
{"title":"Enhancing chemomechanical stability and high-rate performance of nickel-rich cathodes for lithium-ion batteries through three-in-one modification","authors":"Cong Li ,&nbsp;Jinzhong Liu ,&nbsp;Yuefeng Su ,&nbsp;Jinyang Dong ,&nbsp;Hongyun Zhang ,&nbsp;Meng Wang ,&nbsp;Yibiao Guan ,&nbsp;Kang Yan ,&nbsp;Na Liu ,&nbsp;Yun Lu ,&nbsp;Ning Li ,&nbsp;Yu Su ,&nbsp;Feng Wu ,&nbsp;Lai Chen","doi":"10.1016/j.ensm.2024.103893","DOIUrl":"10.1016/j.ensm.2024.103893","url":null,"abstract":"<div><div>Ni-rich cathode, recognized for high specific capacities and cost-effectiveness, are deemed promising candidates for high-energy Li-ion batteries. However, these cathodes display notable structural instability and experience severe strain propagation during rapid charging and extended cycling under high voltage, hindering their widespread commercialization. To tackle this chemo-mechanical instability without compromising energy and power density, we propose an efficient modification strategy involving hexavalent metal cation-induced three-in-one modification to reconstruct the nanoscale surface phase. This strategy includes uniform W-doping, integration of cation-mixed phases, and Li<sub>2</sub>WO<sub>4</sub> nanolayers on the surface of Ni-rich cathode microspheres. W-doping strengthen the bond to oxygen, thereby enhancing structural stability and suppressing oxygen loss linked to a layered-to-rock salt phase transition during deep delithiation process. Additionally, establishing a cation-mixing domain with an optimal thickness on the cathode surface enhances Li⁺ diffusivity and alleviates particle structural degradation. Moreover, Li<sub>2</sub>WO<sub>4</sub> nanolayers reduce electrolyte side reactions and act as a damping medium against cycling stresses. Importantly, detailed investigations into structural changes before and after modification at varying current rates were conducted to better comprehend the rate-dependent degradation mechanism. These findings yield valuable mechanistic insights into the high-rate utilization of a viable Ni-rich cathode, ensuring prolonged service life in electric vehicles.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"74 ","pages":"Article 103893"},"PeriodicalIF":18.9,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588382","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
Bioinspired design of vascularized glassy metal-organic frameworks electrolyte for quasi-solid-state sodium batteries 准固态钠电池用血管化玻璃状金属有机框架电解质的生物启发设计
IF 18.9 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-06 DOI: 10.1016/j.ensm.2024.103892
Yingchun Yan , Zheng Liu , Weining Li , Fan Feng , Xinhou Yang , Bin Qi , Min Gong , Zhiyuan Li , Changqing Wang , Tong Wei , Zhuangjun Fan
{"title":"Bioinspired design of vascularized glassy metal-organic frameworks electrolyte for quasi-solid-state sodium batteries","authors":"Yingchun Yan ,&nbsp;Zheng Liu ,&nbsp;Weining Li ,&nbsp;Fan Feng ,&nbsp;Xinhou Yang ,&nbsp;Bin Qi ,&nbsp;Min Gong ,&nbsp;Zhiyuan Li ,&nbsp;Changqing Wang ,&nbsp;Tong Wei ,&nbsp;Zhuangjun Fan","doi":"10.1016/j.ensm.2024.103892","DOIUrl":"10.1016/j.ensm.2024.103892","url":null,"abstract":"<div><div>Quasi-solid-state electrolytes (QSSEs) are regarded as the most promising alternative for next-generation battery technology due to the compatibility of assemble process and high safety. However, the rational design of solid hosts to ensure the high-efficiency utilization of tiny liquid electrolytes and the deep understanding of ion transport mechanisms at heterogeneous structures are still challenging. Herein, inspired by the ion transport in biological blood vessels, we propose a nitrogen vacancy modified glassy metal-organic framework (MOF) as Na-ion QSSEs host, which shows multilevel ions transport channels, isotropy property, and no grain boundaries. The vascularized glassy MOF enables the reasonable distribution of a small amount of solvent (14 wt.% (solvent as a percentage of QSSE by mass)) in both macro and microenvironments with specific functions, boosting the fast Na-ion transport (1.18 × 10<sup>−4</sup> S cm<sup>–1</sup>, 30 °C) and Na-ion transfer number (0.92), and homogeneous Na-ion nucleation/propagation even at -50 °C. Meanwhile, the quasi-solid-state Na||Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub>/C cell demonstrates excellent rate capability and long cycling stability (0.0288 % capacity decay per cycle after 500 cycles). The bioinspired design of glassy MOF will shed light on new avenues for the development of energy storage and conversion.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"74 ","pages":"Article 103892"},"PeriodicalIF":18.9,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588384","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
Conduction channel creation by interstitial site engineering in otherwise insulating Na6ZnS4 for Na-conducting solid-state electrolytes 通过在原本绝缘的 Na6ZnS4 中进行间隙位点工程创建传导通道,实现 Na 导电固态电解质
IF 18.9 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-05 DOI: 10.1016/j.ensm.2024.103889
Seol Yeon Kang , Woon-Bae Park , Jung Yong Seo , Kee-Sun Sohn , Young-Kook Lee , Joon Seop Kwak , Myoungho Pyo
{"title":"Conduction channel creation by interstitial site engineering in otherwise insulating Na6ZnS4 for Na-conducting solid-state electrolytes","authors":"Seol Yeon Kang ,&nbsp;Woon-Bae Park ,&nbsp;Jung Yong Seo ,&nbsp;Kee-Sun Sohn ,&nbsp;Young-Kook Lee ,&nbsp;Joon Seop Kwak ,&nbsp;Myoungho Pyo","doi":"10.1016/j.ensm.2024.103889","DOIUrl":"10.1016/j.ensm.2024.103889","url":null,"abstract":"<div><div>Na<sub>5.6</sub>Zn<sub>0.6</sub>Ga<sub>0.4</sub>S<sub>4</sub>, which retains the crystalline structure of its parent form Na<sub>6</sub>ZnS<sub>4</sub>, is described as a new class of Na-conducting solid-state electrolytes (SSEs) for all-solid-state batteries. We demonstrate that while Na<sub>6</sub>ZnS<sub>4</sub> is ionically insulating (1.4 nS cm<sup>-1</sup>), Ga-substitution results in an astonishing improvement of ionic conductivity (σ<sub>ion</sub>) to 70.1 μS cm<sup>-1</sup>, making Na<sub>5.6</sub>Zn<sub>0.6</sub>Ga<sub>0.4</sub>S<sub>4</sub> a practical SSE. This dramatic increase in σ<sub>ion</sub> (5 × 10<sup>4</sup> fold) is associated with an increased Na<sup>+</sup> occupancy in interstitial sites as ‘x’ increases in Na<sub>6-x</sub>Zn<sub>1-x</sub>Ga<sub>x</sub>S<sub>4</sub>, where interstitial Na ions facilitate long-range Na<sup>+</sup> conduction, which is otherwise immobile. Ga-substitution also results in phase-pure Na<sub>6-x</sub>Zn<sub>1-x</sub>Ga<sub>x</sub>S<sub>4</sub>, contributing at least partially to the enhancement of σ<sub>ion</sub>. Furthermore, Na<sub>6-x</sub>Zn<sub>1-x</sub>Ga<sub>x</sub>S<sub>4</sub> exhibits neither releasing H<sub>2</sub>S gas nor compromising its crystalline structure for several hours under ambient conditions. Ga-substitution also enhances electrochemical stability. While the anodic limit remains largely unchanged, the cathodic limit is significantly lowered from 0.99 V vs. Na<sub>2</sub>Sn in Na<sub>6</sub>ZnS<sub>4</sub> to 0.35 V in Na<sub>5.6</sub>Zn<sub>0.6</sub>Ga<sub>0.4</sub>S<sub>4</sub>, resulting in stable Na alloying/dealloying reactions in a symmetric Na<sub>2</sub>Sn ‖ Na<sub>2</sub>Sn cell. These findings are comprehensively supported by various experimental and theoretical methods. Finally, we construct a full cell (Na<sub>2</sub>Sn ‖ TiS<sub>2</sub>) and demonstrate the practicality of Na<sub>5.6</sub>Zn<sub>0.6</sub>Ga<sub>0.4</sub>S<sub>4</sub> as a promising SSE in all solid-state Na ion batteries.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"74 ","pages":"Article 103889"},"PeriodicalIF":18.9,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588401","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
Dramatic enhancement in lithium-ion battery capacity through synergistic effects of electronic transitions in light-assisted organic coordination cathode material Co(bpy)(dhbq)2 通过光辅助有机配位正极材料 Co(bpy)(dhbq)2 中电子转变的协同效应大幅提高锂离子电池容量
IF 18.9 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-05 DOI: 10.1016/j.ensm.2024.103891
Ledi Chen , Zaka Ullah , Houliang Sun , Shiwei Yu , Wanting Li , Mingliang Chen , Liwei Liu , Qi Li
{"title":"Dramatic enhancement in lithium-ion battery capacity through synergistic effects of electronic transitions in light-assisted organic coordination cathode material Co(bpy)(dhbq)2","authors":"Ledi Chen ,&nbsp;Zaka Ullah ,&nbsp;Houliang Sun ,&nbsp;Shiwei Yu ,&nbsp;Wanting Li ,&nbsp;Mingliang Chen ,&nbsp;Liwei Liu ,&nbsp;Qi Li","doi":"10.1016/j.ensm.2024.103891","DOIUrl":"10.1016/j.ensm.2024.103891","url":null,"abstract":"<div><div>Integration of photoactive and lithium storing units into a single cathode endows it with notable capacity in the presence of suitable light. However, the interfacial effect between the two materials causes significant loss of photogenerated electrons during their transfer which is one of the biggest obstacles in the development of current photo-assisted rechargeable batteries. In this paper, a bifunctional cobalt-coordinated organic cathode is fabricated by combining 2,2′-bpy and DHBQ via Co by adopting the spin evaporation technique. It optimizes the pristine interfaces of photoactive and lithium storage units into a photoactive unit-metal interface and a metal-lithium storage unit interface through application of Co. In the presence of light, Co causes a strong metal-ligand charge transfer. Meanwhile, ligand-ligand charge transfer also takes place between the multi-ligands. The synergistic effect of these two phenomena offers a discharge capacity of 387 mAh g <sup>-1</sup> which is significantly higher than that of 316 mAh g <sup>-1</sup> recorded in the absence of light. The demonstrated design of bifunctional metal-ligand cathode by incorporation of photoactive ligands into lithium storage ligands through applications of metal centers can open the pathways for establishing a new type of photo-assisted lithium-ion batteries with higher efficiency and lower cost.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"74 ","pages":"Article 103891"},"PeriodicalIF":18.9,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588403","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
Separator functionalization realizing stable zinc anode through microporous metal-organic framework with special functional group 通过带有特殊官能团的微孔金属有机框架实现分离器官能化,从而获得稳定的锌阳极
IF 18.9 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-05 DOI: 10.1016/j.ensm.2024.103886
Zhangxing He , Xinyan Zhu , Yang Song , Bin Li , Xieyu Xu , Zekun Zhang , Ningning Zhao , Yangyang Liu , Jing Zhu , Ling Wang , Lei Dai , Huajun Tian
{"title":"Separator functionalization realizing stable zinc anode through microporous metal-organic framework with special functional group","authors":"Zhangxing He ,&nbsp;Xinyan Zhu ,&nbsp;Yang Song ,&nbsp;Bin Li ,&nbsp;Xieyu Xu ,&nbsp;Zekun Zhang ,&nbsp;Ningning Zhao ,&nbsp;Yangyang Liu ,&nbsp;Jing Zhu ,&nbsp;Ling Wang ,&nbsp;Lei Dai ,&nbsp;Huajun Tian","doi":"10.1016/j.ensm.2024.103886","DOIUrl":"10.1016/j.ensm.2024.103886","url":null,"abstract":"<div><div>Aqueous zinc ion batteries (AZIBs) have been regarded as one of the most promising energy storage systems because of their security, high specific capacity and abundant zinc resources, etc. Despite the promising prospects of AZIBs, their practical application is still plagued by dendrite and side reactions on zinc surface. In this paper, glass fiber separators were modified by <em>in-situ</em> loading metal-organic framework MIL-125 (M-125) and its -NH<sub>2</sub>-functionalized material (NM-125). The designed separator pore structure was successfully adjusted and endowed with -NH<sub>2</sub> functional groups, which can ultimately dramatically enhance the electrochemical performance of AZIBs under practical operation conditions. The functionalized NM-125 with smaller pore size and particle size enables NM-125-GF to prevent the transport of macromolecular anions in the electrolyte, guiding and promoting zinc ions to undergo an orderly migration. In addition, -NH<sub>2</sub> of NM-125 can adsorb Zn<sup>2+</sup> and detach them from the solvated structure, inhibiting the generation of anode-side reactions and optimizing battery performance. Notably, Zn||MnO<sub>2</sub> full cell assembled with -NH<sub>2</sub> functionalized separator also shows a high initial discharge specific capacity (160.2 mAh g<sup>-1</sup>) with a high capacity retention of ∼99.8% even after 700 cycles. The rational design of the functionalized separator provides a useful guideline for optimizing high-performance AZIBs.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"74 ","pages":"Article 103886"},"PeriodicalIF":18.9,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588404","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
An aqueous proton battery under alkaline electrolyte 碱性电解质下的水质子电池
IF 18.9 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-05 DOI: 10.1016/j.ensm.2024.103888
Shengyang Dong , Hang Ren , Jinyao Yang , Jingyuan Zhang , Zeyu Cao , Lifen Long , Zikang Xu , Huaiyu Shao , Xiaogang Zhang
{"title":"An aqueous proton battery under alkaline electrolyte","authors":"Shengyang Dong ,&nbsp;Hang Ren ,&nbsp;Jinyao Yang ,&nbsp;Jingyuan Zhang ,&nbsp;Zeyu Cao ,&nbsp;Lifen Long ,&nbsp;Zikang Xu ,&nbsp;Huaiyu Shao ,&nbsp;Xiaogang Zhang","doi":"10.1016/j.ensm.2024.103888","DOIUrl":"10.1016/j.ensm.2024.103888","url":null,"abstract":"<div><div>Aqueous proton batteries (APBs) have attracted much attention owing to their fast kinetics, low cost and sustainability. However, the most reported APBs operate under acidic conditions, which will lead to serious hydrogen evolution reaction (HER) and corrosion problem, inevitably. Here, a small molecule organic compound, azobenzene (AB) containing an azo group (<em>N</em> = <em>N</em>), is explored as an anode material for APBs under alkaline electrolyte with a low redox potential of around -0.6 V (vs. Hg/HgO). AB anode achieves high-rate capacity of 151 mAh g<sup>-1</sup> at a high current density of 10 A g<sup>-1</sup> and excellent cycling stability over 12,500 cycles under 2 M KOH electrolyte. The experimental results and theoretical calculations confirm that AB performs a two-electron redox reaction involving a central <em>N</em> = <em>N</em> group with two protons from H<sub>2</sub>O molecules. This work reveals the protonation in azo-materials and promotes new insights on design small organic molecules with multi-electron redox reactions in advanced proton secondary batteries.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"74 ","pages":"Article 103888"},"PeriodicalIF":18.9,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588402","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
Highly efficient Mn2+ deposition induced by H-vacancies of NiMn-LDH nanosheets for durable zinc ion batteries 镍锰-LDH 纳米片的 H-空穴诱导 Mn2+ 高效沉积,用于制造耐用的锌离子电池
IF 18.9 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-05 DOI: 10.1016/j.ensm.2024.103887
Junpeng Li , Xubo Yang , Jinwei Wang , Chunjie Ma , Tingxia Wang , Nailiang Liu , Xiufen Pang , Qian Zhang , Chao Wu , Xifei Li
{"title":"Highly efficient Mn2+ deposition induced by H-vacancies of NiMn-LDH nanosheets for durable zinc ion batteries","authors":"Junpeng Li ,&nbsp;Xubo Yang ,&nbsp;Jinwei Wang ,&nbsp;Chunjie Ma ,&nbsp;Tingxia Wang ,&nbsp;Nailiang Liu ,&nbsp;Xiufen Pang ,&nbsp;Qian Zhang ,&nbsp;Chao Wu ,&nbsp;Xifei Li","doi":"10.1016/j.ensm.2024.103887","DOIUrl":"10.1016/j.ensm.2024.103887","url":null,"abstract":"<div><div>The dissolution of Mn-based oxides cathodes is an urgent issue, as it leads to electrochemically irreversible byproducts and, finally, battery failure. In this work, activated NiMn-LDHv nanosheets with H vacancies are proposed as the cathode material for durable zinc ion batteries. The H vacancies promote Mn<sup>2+</sup> deposition by redistributing the electron density and building strong Mn-O bonds, as a result, endowing NiMn-LDHv with the ability of controllable back-deposition of Mn<sup>2+</sup>. It's verified that MnO<sub>2</sub> is deposited on the NiMn-LHDv substrate during charging, the dissolution and the Zn<sup>2+</sup>/H<sup>+</sup> co-intercalation of MnO<sub>2</sub> have a combined contribution to the discharge capacity. The full battery with NiMn-LDHv cathode delivers rate capacity of 258 mAh g<sup>−1</sup> at 0.3 A g<sup>−1</sup>, and even 90 mAh g<sup>−1</sup> at 11.0 A g<sup>−1</sup>. Furthermore, the irreversible Mn-based byproducts are inhibited, resulting in durable cycling performance. After 2500 charge/discharge cycles, the initial capacity remains 91 %. This work provides an important strategy to utilize Mn<sup>2+</sup> efficiently and develop a robust Mn-based cathode, which could greatly prompt the practical application of aqueous zinc ion batteries.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"74 ","pages":"Article 103887"},"PeriodicalIF":18.9,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588405","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
Balancing layered ordering and lattice oxygen stability for electrochemically stable high-nickel layered cathode for lithium-ion batteries 平衡层状有序性和晶格氧稳定性,实现电化学稳定的锂离子电池高镍层状阴极
IF 18.9 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-04 DOI: 10.1016/j.ensm.2024.103884
Gogwon Choe , Eunseong Choi , Yiseul Yoo , Kyung Yoon Chung , Hee-Dae Lim , Jaesub Kwon , Jaeik Kwak , Sang-Hoon You , Jong-Il Park , Sang Cheol Nam , Kyu-Young Park , Yong-Tae Kim
{"title":"Balancing layered ordering and lattice oxygen stability for electrochemically stable high-nickel layered cathode for lithium-ion batteries","authors":"Gogwon Choe ,&nbsp;Eunseong Choi ,&nbsp;Yiseul Yoo ,&nbsp;Kyung Yoon Chung ,&nbsp;Hee-Dae Lim ,&nbsp;Jaesub Kwon ,&nbsp;Jaeik Kwak ,&nbsp;Sang-Hoon You ,&nbsp;Jong-Il Park ,&nbsp;Sang Cheol Nam ,&nbsp;Kyu-Young Park ,&nbsp;Yong-Tae Kim","doi":"10.1016/j.ensm.2024.103884","DOIUrl":"10.1016/j.ensm.2024.103884","url":null,"abstract":"<div><div>Despite the high-capacity nature of high-nickel cathode materials, achieving their practical implementation is challenging due to the susceptibility of atomic arrangement to calcining conditions. Extensive studies have enlightened the correlation between layered ordering and calcining conditions; nevertheless, the alterations in the electronic structure of lattice oxygen remain obscure. In this study, by comparing cathode materials with varying degrees of layered ordering, achieved through adjustments in calcination temperature and lithium equivalent, it is shown that although layered ordering increases, it compromises the electronic structure, creating a labile lattice oxygen environment. Fine structural analysis reveals that a higher local Li/O ratio in highly ordered cathode subsequently alters the band structure by narrowing the band gap between Ni 3<em>d</em> and O 2<em>p</em>, which enhances transition metal–oxygen covalency, and reduces the oxygen vacancy formation energy, adversely affecting cyclability. In highly ordered cathode, the tendency of lattice oxygen to reside within a Li-enriched environment arises from the changes in the favorability of non-paired antisite defects contingent upon the calcination temperature and lithium equivalent. This research underscores the need to balance layered ordering and lattice oxygen stability, offering important insights for the future design of high-nickel cathodes.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"74 ","pages":"Article 103884"},"PeriodicalIF":18.9,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142579908","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
Outer Helmholtz plane adsorption regulation to achieve low-concentration of pure propylene carbonate solvent electrolytes compatible with graphite anode 通过外螺旋霍兹平面吸附调节实现与石墨阳极兼容的低浓度纯碳酸丙烯酯溶剂电解质
IF 18.9 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-04 DOI: 10.1016/j.ensm.2024.103885
Jiaming Jiang , Yuliang Cao , Fei Xu
{"title":"Outer Helmholtz plane adsorption regulation to achieve low-concentration of pure propylene carbonate solvent electrolytes compatible with graphite anode","authors":"Jiaming Jiang ,&nbsp;Yuliang Cao ,&nbsp;Fei Xu","doi":"10.1016/j.ensm.2024.103885","DOIUrl":"10.1016/j.ensm.2024.103885","url":null,"abstract":"<div><div>The low melting point and high polarity of propylene carbonate (PC) make it an ideal solvent for electrolytes of lithium-ion batteries (LIBs), but the incompatibility with graphite anode hinders the application. In the present study, a new method is developed to solve this problem from a new viewpoint. Introduction of saturated LiNO<sub>3</sub> (0.14 mol L<sup>‒1</sup>) into pure PC electrolyte containing lithium salt with normal concentration (1.38 mol L<sup>‒1</sup>) leads to a perfect compatibility with graphite anode. Li/Graphite cell using this pure PC electrolyte shows a reversible capacity of 350.0 mAh g<sup>‒1</sup> and a 200-cycle capacity retention of 96.3 %. Further mechanism study and theoretical computation indicate that the NO<sub>3</sub><sup>‒</sup> anions are adsorbed to outer Helmholtz plane of the electric double layer at the graphite anode interface. This changes the Li<sup>+</sup> solvation structure in the electric double layer, facilitating the Li<sup>+</sup> desolvation process hence resulting in high compatibility with the graphite anode. The most prominent advantage of the present strategy is that, because of the adsorption of NO<sub>3</sub><sup>‒</sup> anions to the outer Helmholtz plane, the compatibility with graphite anode could be improved by introduction of tiny amount of Li salt without large change of the bulk phase properties of the electrolyte. This work provides a new understanding of the compatibility from the viewpoint of outer Helmholtz plane, which might deliver new insights for the optimization of electrolytes for LIBs.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"74 ","pages":"Article 103885"},"PeriodicalIF":18.9,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142580088","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
A Hybrid Modelling Approach Coupling Physics-based Simulation and Deep Learning for Battery Electrode Manufacturing Simulations 电池电极制造模拟中基于物理的模拟与深度学习相结合的混合建模方法
IF 20.4 1区 材料科学
Energy Storage Materials Pub Date : 2024-11-03 DOI: 10.1016/j.ensm.2024.103883
Utkarsh Vijay, Diego E. Galvez-Aranda, Franco M. Zanotto, Tan Le-Dinh, Mohammed Alabdali, Mark Asch, Alejandro A. Franco
{"title":"A Hybrid Modelling Approach Coupling Physics-based Simulation and Deep Learning for Battery Electrode Manufacturing Simulations","authors":"Utkarsh Vijay, Diego E. Galvez-Aranda, Franco M. Zanotto, Tan Le-Dinh, Mohammed Alabdali, Mark Asch, Alejandro A. Franco","doi":"10.1016/j.ensm.2024.103883","DOIUrl":"https://doi.org/10.1016/j.ensm.2024.103883","url":null,"abstract":"Lithium-ion battery (LIB) performance is significantly influenced by its manufacturing process. Manufacturing of an optimized electrode can incur high production costs such as high energy consumption, high scrap rates and emissions. This is due to the process that consists of a series of manufacturing steps presenting a complex interrelationship, thus limiting the understanding of performance as a function of manufacturing parameters. While several empirical and computational methods are employed for optimization, they are demanding in terms of resources such as materials or computational effort. By leveraging Deep Learning (DL), we can enhance our understanding of the complex manufacturing processes and accelerate its optimization. We propose a data-driven supervised DL methodology to complement physics-based LIB cathode manufacturing simulations. The trained DL-based predictive model integrates well into the manufacturing simulation framework to forecast cathode slurry microstructures. The DL model demonstrates robust predictive performance for LIB NMC-111 and LiFePO<sub>4</sub>–based slurries and slurries for a solid-state battery NMC-622/argyrodite composite electrode preparation. While the current work is focused on the cathode slurry process, the proposed methodology has potential for application to drying and calendering steps. This approach will be helpful in streamlining lab-scale electrode manufacturing, and reducing errors, waste and resource consumption.","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"241 1","pages":""},"PeriodicalIF":20.4,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142566229","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}
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