Energy Storage Materials最新文献

英文中文

Corrigendum to “Solid-state rigid polymer composite electrolytes with in-situ formed nano-crystalline lithium ion pathways for lithium-metal batteries” [Energy Storage Materials Volume 72 (2024) 103714]

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104102

Zhuangzhuang Wei , Jun Huang , Zhu Liao , Anyi Hu , Zhengxi Zhang , Akihiro Orita , Nagahiro Saito , Li Yang

引用次数: 0

Advances in aqueous dual-ion batteries: Anion storage mechanisms, challenges and electrolyte design

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104225

Yanxin Liao , Chun Yang , Linghao Sun , Jie Bai , Qichun Zhang , Lingyun Chen

Aqueous dual-ion batteries (ADIBs) represent an innovative energy storage system utilizing dual-ion (anion/cation) charge carriers. These systems exhibit inherent safety, environmental benignity, economic viability, and rapid reaction kinetics, demonstrating significant potential for large-scale energy storage applications. Nevertheless, the intricate anion storage mechanisms, coupled with a range of critical challenges arising from the constrained electrochemical stability window (ESW) of aqueous media, electrode-associated parasitic reactions, the low specific capacity or operating voltage of cathode materials, and dramatic volume changes, pose significant obstacles to their practical application. This review explores the mechanisms of anion storage, the challenges faced, and the design of electrolytes in ADIBs. It elucidates anion storage pathways, including intercalation/deintercalation, coordination/dissociation, conversion reactions, conversion-intercalation, and analyzes limitations such as the narrow ESW, unsatisfactory coulombic efficiency, limited energy density, and poor cycling performance. Strategies for electrolyte design to enhance ADIBs performance are discussed with emphasis on the impact of electrolyte composition on solvation structures, hydrogen-bond networks, insertion potential, and the electrode-electrolyte interface. The review concludes with personal insights into ADIBs development, offering a roadmap for advancing anion reaction chemistry and electrolyte optimization in future research endeavors.

{"title":"Advances in aqueous dual-ion batteries: Anion storage mechanisms, challenges and electrolyte design","authors":"Yanxin Liao , Chun Yang , Linghao Sun , Jie Bai , Qichun Zhang , Lingyun Chen","doi":"10.1016/j.ensm.2025.104225","DOIUrl":"10.1016/j.ensm.2025.104225","url":null,"abstract":"<div><div>Aqueous dual-ion batteries (ADIBs) represent an innovative energy storage system utilizing dual-ion (anion/cation) charge carriers. These systems exhibit inherent safety, environmental benignity, economic viability, and rapid reaction kinetics, demonstrating significant potential for large-scale energy storage applications. Nevertheless, the intricate anion storage mechanisms, coupled with a range of critical challenges arising from the constrained electrochemical stability window (ESW) of aqueous media, electrode-associated parasitic reactions, the low specific capacity or operating voltage of cathode materials, and dramatic volume changes, pose significant obstacles to their practical application. This review explores the mechanisms of anion storage, the challenges faced, and the design of electrolytes in ADIBs. It elucidates anion storage pathways, including intercalation/deintercalation, coordination/dissociation, conversion reactions, conversion-intercalation, and analyzes limitations such as the narrow ESW, unsatisfactory coulombic efficiency, limited energy density, and poor cycling performance. Strategies for electrolyte design to enhance ADIBs performance are discussed with emphasis on the impact of electrolyte composition on solvation structures, hydrogen-bond networks, insertion potential, and the electrode-electrolyte interface. The review concludes with personal insights into ADIBs development, offering a roadmap for advancing anion reaction chemistry and electrolyte optimization in future research endeavors.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"77 ","pages":"Article 104225"},"PeriodicalIF":18.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785057","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

Research Progress on the Mechanisms of MOF/COF and Their Derivatives in Zinc−Ion Batteries

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104220

Hai Ni , Zengyuan Fan , Jiawei Wang , Yunpeng Wu

The rapid depletion of fossil fuels and growing concerns about environmental issues is driving the demand for renewable energy storage systems. Zinc−ion batteries (ZIBs) have emerged as a promising alternative due to their cost−effectiveness, safety, and environmental compatibility. However, practical applications of ZIBs are hindered by challenges such as zinc dendrite formation, hydrogen evolution reactions (HER), and cathode material dissolution. To address these issues, metal−organic framework (MOF) and covalent organic framework (COF) have emerged as promising solutions, owing to their high porosity, tunable structures, and excellent ionic conductivity. This paper provides a comprehensive overview of the latest advancements in MOF/COF and their derivatives in ZIBs. It also examines their roles in cathodes, anodes, electrolytes, and separators, with a particular focus on the relationship between material structure and electrochemical performance, as well as reaction mechanisms. Finally, the paper identifies the challenges faced by MOF/COF and their derivatives, and explores potential molecular−level strategies for overcoming these issues.

{"title":"Research Progress on the Mechanisms of MOF/COF and Their Derivatives in Zinc−Ion Batteries","authors":"Hai Ni , Zengyuan Fan , Jiawei Wang , Yunpeng Wu","doi":"10.1016/j.ensm.2025.104220","DOIUrl":"10.1016/j.ensm.2025.104220","url":null,"abstract":"<div><div>The rapid depletion of fossil fuels and growing concerns about environmental issues is driving the demand for renewable energy storage systems. Zinc−ion batteries (ZIBs) have emerged as a promising alternative due to their cost−effectiveness, safety, and environmental compatibility. However, practical applications of ZIBs are hindered by challenges such as zinc dendrite formation, hydrogen evolution reactions (HER), and cathode material dissolution. To address these issues, metal−organic framework (MOF) and covalent organic framework (COF) have emerged as promising solutions, owing to their high porosity, tunable structures, and excellent ionic conductivity. This paper provides a comprehensive overview of the latest advancements in MOF/COF and their derivatives in ZIBs. It also examines their roles in cathodes, anodes, electrolytes, and separators, with a particular focus on the relationship between material structure and electrochemical performance, as well as reaction mechanisms. Finally, the paper identifies the challenges faced by MOF/COF and their derivatives, and explores potential molecular−level strategies for overcoming these issues.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"77 ","pages":"Article 104220"},"PeriodicalIF":18.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143737277","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

High-stability zinc anodes modulated by solvation structure and interface chemistry toward printable zinc-ion capacitors

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104214

Quancai Li, Weinan Tang, Guilin Tang, Qian Wang, Qun Liu, Hehe Ren, Panwang Guo, Ke Zheng, Ziyi Gong, Jing Liang, Wei Wu

Despite the well-known advantages of aqueous zinc-ion energy storage devices, their development is hindered by challenges such as zinc dendrite formation and side reactions. Moreover, reducing costs and improving efficiency are essential to achieving their commercialization. This study addresses the issues associated with conventional zinc sulfate electrolytes by introducing a safe and moderate concentration of glycerophosphocholine (G) as an additive. Experimental characterization and theoretical calculations show that additive G molecules regulate the solvation structure of zinc ions and modify the adsorption behavior of zinc metal at the electrolyte interface. This dual action suppresses the decomposition of active water molecules and guides the oriented deposition of zinc ions. From the perspective of practical application, high-performance zinc-ion hybrid capacitors are fabricated using fully printed electrodes via a cost-effective and scalable screen-printing method and possess a high capacity retention of 87.09 % after 6000 cycles. These devices demonstrate exceptional electrochemical performance and can accelerate the lab-to-fab translation process, showing great potential for commercialization.

{"title":"High-stability zinc anodes modulated by solvation structure and interface chemistry toward printable zinc-ion capacitors","authors":"Quancai Li, Weinan Tang, Guilin Tang, Qian Wang, Qun Liu, Hehe Ren, Panwang Guo, Ke Zheng, Ziyi Gong, Jing Liang, Wei Wu","doi":"10.1016/j.ensm.2025.104214","DOIUrl":"10.1016/j.ensm.2025.104214","url":null,"abstract":"<div><div>Despite the well-known advantages of aqueous zinc-ion energy storage devices, their development is hindered by challenges such as zinc dendrite formation and side reactions. Moreover, reducing costs and improving efficiency are essential to achieving their commercialization. This study addresses the issues associated with conventional zinc sulfate electrolytes by introducing a safe and moderate concentration of glycerophosphocholine (G) as an additive. Experimental characterization and theoretical calculations show that additive G molecules regulate the solvation structure of zinc ions and modify the adsorption behavior of zinc metal at the electrolyte interface. This dual action suppresses the decomposition of active water molecules and guides the oriented deposition of zinc ions. From the perspective of practical application, high-performance zinc-ion hybrid capacitors are fabricated using fully printed electrodes via a cost-effective and scalable screen-printing method and possess a high capacity retention of 87.09 % after 6000 cycles. These devices demonstrate exceptional electrochemical performance and can accelerate the lab-to-fab translation process, showing great potential for commercialization.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"77 ","pages":"Article 104214"},"PeriodicalIF":18.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143723844","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 ultra-thick solvent-free electrode based on non-conservative pulsed shear field mixing

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104218

Yukun Li , Hao Luo , Shuzhe Yang , Xiaoxiao Pan , Hongwei Cai , Qingqing Gao , Yujin Tong , Tiefeng Liu , Mi Lu

Despite being extensively expected as an eco-friendly and cost-effective electrode manufacturing technique in batteries, the solvent-free (SF) technique still suffers from poor mechanical stability and inhomogeneous mixing, especially for ultra-thick electrode. Herein, we pivot from unusual shear force field regulation, proposing a pulsed mixing (PM) strategy to redefine energy release criterion. Mechanical evaluation and X-ray Nano-CT tomography demonstrate that PM strategy can construct uniform and robust SF ultra-thick electrode with 3D charge transfer highway and deeply interconnected charge carrier permeable network by optimizing dynamic connections among electroactive materials. As a proof of concept, an unprecedented ultra-high mass loading of 121 mg cm⁻² can be achieved in a SF LiMn₂O₄ (LMO) electrode with a capacity of 11.6 mA h cm⁻², and appealing cyclability over 30 times. Furthermore, the thick SF LMO (58 mg cm⁻²) displays a high-capacity retention of 93 % over 100 cycles at 0.1 C. Even the assembled SF LMO||Si/C full cell also exhibits good cycle stability with a capacity retention of 87.5 % after 100 cycles. The finding signifies a paradigm innovate and introduces transformative opportunities for the design of high-performance and green batteries.

{"title":"An ultra-thick solvent-free electrode based on non-conservative pulsed shear field mixing","authors":"Yukun Li , Hao Luo , Shuzhe Yang , Xiaoxiao Pan , Hongwei Cai , Qingqing Gao , Yujin Tong , Tiefeng Liu , Mi Lu","doi":"10.1016/j.ensm.2025.104218","DOIUrl":"10.1016/j.ensm.2025.104218","url":null,"abstract":"<div><div>Despite being extensively expected as an eco-friendly and cost-effective electrode manufacturing technique in batteries, the solvent-free (SF) technique still suffers from poor mechanical stability and inhomogeneous mixing, especially for ultra-thick electrode. Herein, we pivot from unusual shear force field regulation, proposing a pulsed mixing (PM) strategy to redefine energy release criterion. Mechanical evaluation and X-ray Nano-CT tomography demonstrate that PM strategy can construct uniform and robust SF ultra-thick electrode with 3D charge transfer highway and deeply interconnected charge carrier permeable network by optimizing dynamic connections among electroactive materials. As a proof of concept, an unprecedented ultra-high mass loading of 121 mg cm<sup>−2</sup> can be achieved in a SF LiMn<sub>2</sub>O<sub>4</sub> (LMO) electrode with a capacity of 11.6 mA h cm<sup>−2</sup>, and appealing cyclability over 30 times. Furthermore, the thick SF LMO (58 mg cm<sup>−2</sup>) displays a high-capacity retention of 93 % over 100 cycles at 0.1 C. Even the assembled SF LMO||Si/C full cell also exhibits good cycle stability with a capacity retention of 87.5 % after 100 cycles. The finding signifies a paradigm innovate and introduces transformative opportunities for the design of high-performance and green batteries.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"77 ","pages":"Article 104218"},"PeriodicalIF":18.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143737275","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

Mechano-Electrical Buffer Layer at Grain Boundary Induced Solid State Electrolyte with Ultra-High Mechanical Strength and Electrical Insulation for Stable Lithium Metal Batteries

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104198

Fan Wang , Ming Zhang , Zixuan Fang , Haiping Zhou , Jintian Wu , Ziqiang Xu , Naixun Zhou , Yihang Zhang , Zhi Zeng , Mengqiang Wu

The high sintering temperature, low mechanical properties and instability of lithium metal have consistently hindered the practicality of Li_1.3Al_0.3Ti_1.7(PO₄)₃ (LATP) solid-state electrolytes (SSEs). Herein, a meticulously designed mechano-electrical buffer layer is constructed at grain boundaries (GBs) of LATP by introducing Li₂B₄O₇ (LBO) glass-ceramic. LBO can generate a liquid phase with high Young's modulus and low electronic conductivity at GBs to simultaneously reduce sintering temperature, and enhance the mechanical strength and electrical insulation of LATP. The construction of a mechano-electrical buffer layer at GBs leads to three significant achievements: the reduced sintering temperature from 950 to 750 °C, the enhanced mechanical strength from 9.9 to 117.5 MPa, and the decreased electronic conductivity from 1.2 × 10^-9 to 1.5 × 10^-10 S cm^-1. When coupled with a solid polymer electrolyte, it effectively protects LATP from internal microcrack propagation and electron attack. Remarkably, the critical current density (CCD) of the modified LATP can reach 2 mA cm^-2. Moreover, the lithium metal battery with LiFePO₄ demonstrates outstanding stability of more than 1000 cycles with a capacity retention of 93.3% at 0.2 C. This work provides new insights into improving the performance of SSEs by enhancing both mechanical strength and electrical insulation.

{"title":"Mechano-Electrical Buffer Layer at Grain Boundary Induced Solid State Electrolyte with Ultra-High Mechanical Strength and Electrical Insulation for Stable Lithium Metal Batteries","authors":"Fan Wang , Ming Zhang , Zixuan Fang , Haiping Zhou , Jintian Wu , Ziqiang Xu , Naixun Zhou , Yihang Zhang , Zhi Zeng , Mengqiang Wu","doi":"10.1016/j.ensm.2025.104198","DOIUrl":"10.1016/j.ensm.2025.104198","url":null,"abstract":"<div><div>The high sintering temperature, low mechanical properties and instability of lithium metal have consistently hindered the practicality of Li<sub>1.3</sub>Al<sub>0.3</sub>Ti<sub>1.7</sub>(PO<sub>4</sub>)<sub>3</sub> (LATP) solid-state electrolytes (SSEs). Herein, a meticulously designed mechano-electrical buffer layer is constructed at grain boundaries (GBs) of LATP by introducing Li<sub>2</sub>B<sub>4</sub>O<sub>7</sub> (LBO) glass-ceramic. LBO can generate a liquid phase with high Young's modulus and low electronic conductivity at GBs to simultaneously reduce sintering temperature, and enhance the mechanical strength and electrical insulation of LATP. The construction of a mechano-electrical buffer layer at GBs leads to three significant achievements: the reduced sintering temperature from 950 to 750 °C, the enhanced mechanical strength from 9.9 to 117.5 MPa, and the decreased electronic conductivity from 1.2 × 10<sup>-9</sup> to 1.5 × 10<sup>-10</sup> S cm<sup>-1</sup>. When coupled with a solid polymer electrolyte, it effectively protects LATP from internal microcrack propagation and electron attack. Remarkably, the critical current density (CCD) of the modified LATP can reach 2 mA cm<sup>-2</sup>. Moreover, the lithium metal battery with LiFePO<sub>4</sub> demonstrates outstanding stability of more than 1000 cycles with a capacity retention of 93.3% at 0.2 C. This work provides new insights into improving the performance of SSEs by enhancing both mechanical strength and electrical insulation.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"77 ","pages":"Article 104198"},"PeriodicalIF":18.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143677801","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

Enhanced lithium polysulfide adsorption and reaction with cobalt-doped spinel additives for robust lithium-sulfur batteries

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104207

Jesús Chacón-Borrero , Xuede Qi , Xuesong Zhang , Armando Berlanga-Vázquez , Xingqi Chang , Guillem Montaña-Mora , Karol V. Mejía-Centeno , Helena Rabelo Freitas , María Chiara Spadaro , Jordi Arbiol , Jordi Llorca , Pablo Guardia , Xueqiang Qi , Chao Yue Zhang , Andreu Cabot

Sulfur-based cathodes offer a promising high-energy-density alternative to conventional lithium-ion batteries. However, their commercial viability is hindered by limited stability due to the gradual loss of active sulfur during cycling. This study addresses this challenge by introducing a cobalt-doped spinel oxide as a catalytic additive, designed to enhance the performance and stability of sulfur cathodes with minimized cobalt usage. Small amounts of cobalt doping improve the adsorption of sulfur species through stronger electronic interactions with antibonding orbitals and accelerate charge transfer, thereby promoting more efficient sulfur redox reactions. Cobalt also lowers the energy barrier for Li₂S formation, a critical step in the cycling process. Specifically, Co-doped MnFe₂O₄ with 2.4 wt % Co demonstrates a remarkable initial capacity of 1302 mAh/g at 0.1C, excellent rate capability with 700 mAh/g at 4C, and stable cycling performance with an average capacity decay of just 0.03 % per cycle at 0.5C over 200 cycles. Overall, this work underscores the potential of cobalt-doped spinel structures as catalytic additives to mitigate the limitations of sulfur cathodes, paving the way for more stable and high-performance lithium-sulfur batteries.

{"title":"Enhanced lithium polysulfide adsorption and reaction with cobalt-doped spinel additives for robust lithium-sulfur batteries","authors":"Jesús Chacón-Borrero , Xuede Qi , Xuesong Zhang , Armando Berlanga-Vázquez , Xingqi Chang , Guillem Montaña-Mora , Karol V. Mejía-Centeno , Helena Rabelo Freitas , María Chiara Spadaro , Jordi Arbiol , Jordi Llorca , Pablo Guardia , Xueqiang Qi , Chao Yue Zhang , Andreu Cabot","doi":"10.1016/j.ensm.2025.104207","DOIUrl":"10.1016/j.ensm.2025.104207","url":null,"abstract":"<div><div>Sulfur-based cathodes offer a promising high-energy-density alternative to conventional lithium-ion batteries. However, their commercial viability is hindered by limited stability due to the gradual loss of active sulfur during cycling. This study addresses this challenge by introducing a cobalt-doped spinel oxide as a catalytic additive, designed to enhance the performance and stability of sulfur cathodes with minimized cobalt usage. Small amounts of cobalt doping improve the adsorption of sulfur species through stronger electronic interactions with antibonding orbitals and accelerate charge transfer, thereby promoting more efficient sulfur redox reactions. Cobalt also lowers the energy barrier for Li<sub>2</sub>S formation, a critical step in the cycling process. Specifically, Co-doped MnFe<sub>2</sub>O<sub>4</sub> with 2.4 wt % Co demonstrates a remarkable initial capacity of 1302 mAh/g at 0.1C, excellent rate capability with 700 mAh/g at 4C, and stable cycling performance with an average capacity decay of just 0.03 % per cycle at 0.5C over 200 cycles. Overall, this work underscores the potential of cobalt-doped spinel structures as catalytic additives to mitigate the limitations of sulfur cathodes, paving the way for more stable and high-performance lithium-sulfur batteries.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"77 ","pages":"Article 104207"},"PeriodicalIF":18.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143695825","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Two-dimensional Ⅳ-Ⅴ compound monolayers: First principles insights for sodium ion battery anode applications 二维 Ⅳ-Ⅴ 复合单层：钠离子电池阳极应用的第一原理启示

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104224

Lingxia Li, Wenbo Zhang, Jiayin Zhang, Junqiang Ren, Xin Guo, Xuefeng Lu

Two-dimensional materials have acquired considerable concerns in sodium-ion batteries although there are some challenges involving the number of active sites and structural stability. In this present contribution, the electrochemical nature of proposed GeSiP₂ and GeSiSb₂ monolayers as anode materials are systematically predicted through first-principles calculations. The results indicate that the compounds have the dynamic and mechanical stability according to phonon dispersion curves and cohesive energies. They are internally bonded by covalent bonds and retain better electrical conductivity after embedding sodium. The lower migration barrier of 0.074 eV from the Hollow site of six-membered ring to that of an adjacent ring can be obtained in the Sb-Si terminal case for GeSiSb₂, with the suitable diffusion coefficient of 0.69 × 10^–3 cm²/s. Additionally, there are lattice constant changes of 13.7 % and 3.89 % after adsorption of the maximum Na atom concentration for GeSiP₂ and GeSiSb₂, respectively, ensuring structural stability during cycling. Moreover, the maximum theoretical specific capacities of 988.58 mAh/g and 467.14 mAh/g, with suitable average open-circuit voltages of 0.48 V and 0.37 V, respectively, can be determined. All these findings illustrate that these two compounds display great potential as electrode materials for metal-ion batteries in the field of energy storage.

{"title":"Two-dimensional Ⅳ-Ⅴ compound monolayers: First principles insights for sodium ion battery anode applications","authors":"Lingxia Li, Wenbo Zhang, Jiayin Zhang, Junqiang Ren, Xin Guo, Xuefeng Lu","doi":"10.1016/j.ensm.2025.104224","DOIUrl":"10.1016/j.ensm.2025.104224","url":null,"abstract":"<div><div>Two-dimensional materials have acquired considerable concerns in sodium-ion batteries although there are some challenges involving the number of active sites and structural stability. In this present contribution, the electrochemical nature of proposed GeSiP<sub>2</sub> and GeSiSb<sub>2</sub> monolayers as anode materials are systematically predicted through first-principles calculations. The results indicate that the compounds have the dynamic and mechanical stability according to phonon dispersion curves and cohesive energies. They are internally bonded by covalent bonds and retain better electrical conductivity after embedding sodium. The lower migration barrier of 0.074 eV from the Hollow site of six-membered ring to that of an adjacent ring can be obtained in the Sb-Si terminal case for GeSiSb<sub>2</sub>, with the suitable diffusion coefficient of 0.69 × 10<sup>–3</sup> cm<sup>2</sup>/s. Additionally, there are lattice constant changes of 13.7 % and 3.89 % after adsorption of the maximum Na atom concentration for GeSiP<sub>2</sub> and GeSiSb<sub>2</sub>, respectively, ensuring structural stability during cycling. Moreover, the maximum theoretical specific capacities of 988.58 mAh/g and 467.14 mAh/g, with suitable average open-circuit voltages of 0.48 V and 0.37 V, respectively, can be determined. All these findings illustrate that these two compounds display great potential as electrode materials for metal-ion batteries in the field of energy storage.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"77 ","pages":"Article 104224"},"PeriodicalIF":18.9,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143758529","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

Enhanced mechanical property promote high stability of single-crystal Ni-rich cathode at 4.5 V 增强的机械性能促进 4.5 V 下单晶富镍阴极的高稳定性

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104199

Jianpeng Peng , Jiachao Yang , Shuaipeng Hao , Yunjiao Li , Shuaiwei Liu , Shijie Jiang , Shuhui Sun , Zhenjiang He

Ultra-high nickel layered cathodes suffer accelerated degradation through a mechanically and chemically coupled cycle, highlighting the need to concurrently enhance durability and stability, especially at high voltages to prolong service life. This work demonstrates that tungsten near-surface doping can induce spinel nanodots, effectively improving the mechanical-chemical synergy of LiNi_0.9Co_0.05Mn_0.05O₂. Micro-compression testing of individual cycled crystalline particles is employed to reveal the quantized compression strength and modulus of materials. The modified materials exhibit a better strength of 360.2 MPa and an increased modulus of 13.7 GPa, and even after cycling the materials can maintain high strength and modulus levels of 175.3 MPa and 5 GPa respectively. More importantly, in-situ XRD indicates that the improvement of mechanical integrity is achieved by suppressing the lattice distortion. Cross-sectional SEM, TEM and XPS demonstrate that the enhanced mechanical integrity can effectively inhibit particle cracking and improve the mechanical and chemical stability. As a result, this cathode with an arranged structure delivered 75.4 % capacity retention at 4.5 V after 300 cycles, representing a 16.3 % improvement. This surface nanodots approach provides new insights into interface engineering to ameliorate degradation at high voltage, offering a pathway toward high-energy cathodes with enhanced cycling endurance.

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引用次数: 0

Co-intercalation of solvated Mg2+ in amine-chain-expanded VOPO4 cathodes with fast kinetics under high-voltage condition

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials

Pub Date : 2025-04-01 DOI: 10.1016/j.ensm.2025.104209

Lingxiao Luo , Liuyan Xia , Shuangshuang Tan , Ruimin Sun , Ze He , Xueting Huang , Zhipeng Gao , Jia Huang , Yongfeng Zhang , Xiaofang Yang , Junyao Xu , Guangsheng Huang , Jingfeng Wang , Fusheng Pan

Layered cathode materials represent promising candidates for rechargeable magnesium batteries (RMBs). Among them, hydrated vanadyl phosphate (VOPO₄·2H₂O) has gained traction due to its relatively high redox potential. However, its limited interlayer spacing leads to sluggish Mg²⁺ diffusion kinetics and low specific capacity. We address this issue by systematically studying various organic molecules as pre-insertion agents. We introduce theoretical descriptors, including molecular orbital energy levels and adsorption energy of organic molecules on VOPO₄ material, to guide the selection of applicable interlayer-expanding agents. Our di-n-butylamine (PD) pre-inserted VOPO₄ (PD-VOPO₄) cathode exhibited an expanded interlayer spacing from 0.746 nm to 1.42 nm and simultaneously delivered superior stability. It delivered an enhanced specific capacity of 118.5 mAh·g⁻¹ with a high discharge potential of 2.74 V (vs. Mg²⁺/Mg) at 50 mA·g⁻¹, and retained 81.2 % of its capacity over 200 cycles. Theoretical calculations and electrochemical characterizations demonstrated that the PD-VOPO₄ cathode exhibited faster Mg²⁺ migration kinetics and a higher intercalation amount, while ex-situ characterization measurements revealed the co-intercalation mechanism of solvated Mg²⁺. This work offers new insights into the development of high-voltage, stable, and high-capacity layered cathode materials for RMBs.

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