Pub Date : 2024-11-06DOI: 10.1016/j.jpowsour.2024.235756
Hamide Aydın , Burcu Üstün , Utkan Şahintürk , Serkan Naci Koç , Ümran Kurtan
Here, two kinds of chemical blowing agents (BAs), specifically, oxy-bis (benzene sulfonyl) hydrazide (OBSH), and azodicarbonamide (ADC) have been explored in the fabrication of carbon nanofibers for potential usage as the electrode materials in supercapacitors (SCs). The BAs are not only used as poring agents but also as heteroatom dopants. The type and the amount of BAs are significant to obtain a good porous carbon nanofiber structure and a low amount of usage provided a better nanostructure including a larger surface area (492.5 m2/g), a better total volume (0.216 cm3/g), higher level of structural disorder and defects (ID/IG, 1.02), and higher heteroatom content (5.26 at% N and 10.38 at% O) for C/OBSH-10 nanofiber. The symmetrical SC composed of C/OBSH-10 nanofiber electrode offers a specific energy of 6.2 Wh/kg at a specific power of 300 W/kg. Moreover, the cycling ability is superior (94.6 %) after 10,000 charge-discharge test and this work can be a strategy to obtain other porous carbon-based materials for energy storage applications.
{"title":"Chemical blowing agents for the fabrication of nitrogen and oxygen co-doped carbon nanofibers: Structural and supercapacitive study","authors":"Hamide Aydın , Burcu Üstün , Utkan Şahintürk , Serkan Naci Koç , Ümran Kurtan","doi":"10.1016/j.jpowsour.2024.235756","DOIUrl":"10.1016/j.jpowsour.2024.235756","url":null,"abstract":"<div><div>Here, two kinds of chemical blowing agents (BAs), specifically, oxy-bis (benzene sulfonyl) hydrazide (OBSH), and azodicarbonamide (ADC) have been explored in the fabrication of carbon nanofibers for potential usage as the electrode materials in supercapacitors (SCs). The BAs are not only used as poring agents but also as heteroatom dopants. The type and the amount of BAs are significant to obtain a good porous carbon nanofiber structure and a low amount of usage provided a better nanostructure including a larger surface area (492.5 m<sup>2</sup>/g), a better total volume (0.216 cm<sup>3</sup>/g), higher level of structural disorder and defects (I<sub>D</sub>/I<sub>G</sub>, 1.02), and higher heteroatom content (5.26 at% N and 10.38 at% O) for C/OBSH-10 nanofiber. The symmetrical SC composed of C/OBSH-10 nanofiber electrode offers a specific energy of 6.2 Wh/kg at a specific power of 300 W/kg. Moreover, the cycling ability is superior (94.6 %) after 10,000 charge-discharge test and this work can be a strategy to obtain other porous carbon-based materials for energy storage applications.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"626 ","pages":"Article 235756"},"PeriodicalIF":8.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593723","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.jpowsour.2024.235769
Youcun Bai , Qidong Lv , Wei Sun , Wenhao Liang , Heng Zhang , Chang Ming Li
Vanadium-based materials are currently favored by researchers due to their multi-structure, which can enhance the steric resistance and electrostatic repulsion during the (de)intercalation process of zinc ions. However, their low conductivity remains an inherent hindrance to their practical application. Therefore, finding a way to adjust the electronic structure of vanadium-based compounds is considered an effective strategy. Presently, we have designed a porous Ni-mediated V4O7, wherein the presence of oxygen defects and heterostructures in V4O7/NiO (Od-NVO-4) substantially improves the diffusion kinetics of ions/electrons and boosts the electrochemical performance. As anticipated, the Zn//V4O7/NiO battery exhibits a high specific capacity (348.6 mAh g−1 at 0.1 A g−1), favorable rate capability (323.8 mAh g−1 at 4 A g−1), and remarkable cycle stability (206.3 mAh g−1 at 2 A g−1 after 2000 cycles). Additionally, the underlying mechanism of electrochemical zinc storage is comprehensively described through electrochemical kinetic analysis and theoretical calculations. These results unambiguously reveal the intrinsic link between the surface/interface structure and electrochemical performance of the cathode, offering a valuable reference for designing high-performance electrode materials.
钒基材料目前受到研究人员的青睐，因为它们具有多种结构，在锌离子（脱）插层过程中可以增强立体阻力和静电排斥力。然而，它们的低导电性仍然是其实际应用的固有障碍。因此，寻找调整钒基化合物电子结构的方法被认为是一种有效的策略。目前，我们设计了一种以镍为介质的多孔 V4O7，其中 V4O7/NiO（Od-NVO-4）中氧缺陷和异质结构的存在大大改善了离子/电子的扩散动力学，并提高了电化学性能。正如预期的那样，Zn//V4O7/NiO 电池表现出较高的比容量（0.1 A g-1 时为 348.6 mAh g-1）、良好的速率能力（4 A g-1 时为 323.8 mAh g-1）和显著的循环稳定性（2000 次循环后，2 A g-1 时为 206.3 mAh g-1）。此外，还通过电化学动力学分析和理论计算全面描述了电化学储锌的基本机制。这些结果明确揭示了阴极表面/界面结构与电化学性能之间的内在联系，为设计高性能电极材料提供了宝贵的参考。
{"title":"Nickel-mediated V4O7 as high-performance cathode material for aqueous Zn-ion batteries","authors":"Youcun Bai , Qidong Lv , Wei Sun , Wenhao Liang , Heng Zhang , Chang Ming Li","doi":"10.1016/j.jpowsour.2024.235769","DOIUrl":"10.1016/j.jpowsour.2024.235769","url":null,"abstract":"<div><div>Vanadium-based materials are currently favored by researchers due to their multi-structure, which can enhance the steric resistance and electrostatic repulsion during the (de)intercalation process of zinc ions. However, their low conductivity remains an inherent hindrance to their practical application. Therefore, finding a way to adjust the electronic structure of vanadium-based compounds is considered an effective strategy. Presently, we have designed a porous Ni-mediated V<sub>4</sub>O<sub>7</sub>, wherein the presence of oxygen defects and heterostructures in V<sub>4</sub>O<sub>7</sub>/NiO (O<sub>d</sub>-NVO-4) substantially improves the diffusion kinetics of ions/electrons and boosts the electrochemical performance. As anticipated, the Zn//V<sub>4</sub>O<sub>7</sub>/NiO battery exhibits a high specific capacity (348.6 mAh g<sup>−1</sup> at 0.1 A g<sup>−1</sup>), favorable rate capability (323.8 mAh g<sup>−1</sup> at 4 A g<sup>−1</sup>), and remarkable cycle stability (206.3 mAh g<sup>−1</sup> at 2 A g<sup>−1</sup> after 2000 cycles). Additionally, the underlying mechanism of electrochemical zinc storage is comprehensively described through electrochemical kinetic analysis and theoretical calculations. These results unambiguously reveal the intrinsic link between the surface/interface structure and electrochemical performance of the cathode, offering a valuable reference for designing high-performance electrode materials.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"626 ","pages":"Article 235769"},"PeriodicalIF":8.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.jpowsour.2024.235730
Shengbo Yang , Nengze Wang , Xiaohe Ren , Mengxuan Sun , Tianning Pian , Jianing Lv , Ziwei Gan , Xiaojun Yao , Chunyang Jia
Cost-effective and environment-friendly aqueous zinc ion batteries (AZIBs) are ideal for emerging energy storage. Focusing on enhancing the rate performance and cycling stability of AZIBs, various metal oxides and compounds as cathode materials have drawn extensive attention. The development of high-performance AZIBs cathode materials requires concentrating on the Zn2+ intercalation strategy and exploring new materials more suitable for Zn2+ intercalation to ensure more stable Zn2+ storage. Additionally, a straightforward synthesis process considering economic effects and cost issues is essential. Herein, we introduce abundant oxygen vacancies on/near the surface of V2O5 by quenching at high temperatures to provide more insertion sites for Zn2+. Then, Zn2V2O7·2H2O with oxygen vacancies is synthesized by reacting V2O5 with ZnCl2 through stirring and subsequent hydrothermal treatment (named QH ZVO). QH ZVO has a tunnel-like structure for stable Zn2+ storage, combined with oxygen vacancy defects, enriches Zn2+ storage quantity. Density functional theory simulations show that the quenching induced oxygen vacancy narrows the energy band gap of QH ZVO and accelerates electron transfer. The maximum specific capacity reaches 78.34 mAh g−1 at 15 A g−1 with 74.47 % capacity retention after 15,000 cycles. This work offers a new approach for efficient zinc storage and enhances the electrochemical stability of AZIBs.
{"title":"Quenching method introduced oxygen defect type Zn2V2O7·2H2O for long-life aqueous zinc ion batteries","authors":"Shengbo Yang , Nengze Wang , Xiaohe Ren , Mengxuan Sun , Tianning Pian , Jianing Lv , Ziwei Gan , Xiaojun Yao , Chunyang Jia","doi":"10.1016/j.jpowsour.2024.235730","DOIUrl":"10.1016/j.jpowsour.2024.235730","url":null,"abstract":"<div><div>Cost-effective and environment-friendly aqueous zinc ion batteries (AZIBs) are ideal for emerging energy storage. Focusing on enhancing the rate performance and cycling stability of AZIBs, various metal oxides and compounds as cathode materials have drawn extensive attention. The development of high-performance AZIBs cathode materials requires concentrating on the Zn<sup>2+</sup> intercalation strategy and exploring new materials more suitable for Zn<sup>2+</sup> intercalation to ensure more stable Zn<sup>2+</sup> storage. Additionally, a straightforward synthesis process considering economic effects and cost issues is essential. Herein, we introduce abundant oxygen vacancies on/near the surface of V<sub>2</sub>O<sub>5</sub> by quenching at high temperatures to provide more insertion sites for Zn<sup>2+</sup>. Then, Zn<sub>2</sub>V<sub>2</sub>O<sub>7</sub>·2H<sub>2</sub>O with oxygen vacancies is synthesized by reacting V<sub>2</sub>O<sub>5</sub> with ZnCl<sub>2</sub> through stirring and subsequent hydrothermal treatment (named QH ZVO). QH ZVO has a tunnel-like structure for stable Zn<sup>2+</sup> storage, combined with oxygen vacancy defects, enriches Zn<sup>2+</sup> storage quantity. Density functional theory simulations show that the quenching induced oxygen vacancy narrows the energy band gap of QH ZVO and accelerates electron transfer. The maximum specific capacity reaches 78.34 mAh g<sup>−1</sup> at 15 A g<sup>−1</sup> with 74.47 % capacity retention after 15,000 cycles. This work offers a new approach for efficient zinc storage and enhances the electrochemical stability of AZIBs.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"626 ","pages":"Article 235730"},"PeriodicalIF":8.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.jpowsour.2024.235711
Tjaša Pavčnik , Muath Radi , Olivera Lužanin , Rémi Dedryvère , Deyana S. Tchitchekova , Alexandre Ponrouch , Jan Bitenc , Robert Dominko
Mg fluorinated alkoxyborate-based electrolytes are promising candidates for rechargeable Mg batteries. In this work, we investigate a series of Mg alkoxyborates with a different degree of anion fluorination in terms of their physicochemical properties, Mg metal anode, and organic cathode electrochemical performance, as well as Mg metal/electrolyte interphase. The results underscore the significant influence of the anion fluorination degree on the transport properties of electrolytes. Notably, the anion with the lowest degree of fluorination exhibits one order of magnitude lower ionic conductivity than electrolytes with more fluorinated anions. Interestingly, the same electrolyte demonstrates the second-best electrochemical performance, with the Mg plating/stripping efficiency close to 99 %. XPS analysis of the Mg metal deposit surface reveals that the high Coulombic efficiency is associated with a high amount of boron-containing species in the metal/electrolyte interphase of the best-performing electrolytes. Additionally, it has been noted that inorganic boron species result in a larger interfacial resistivity for Mg plating/stripping compared to boron species in an organic environment. Testing in combination with organic cathodes reveals the superior performance of the most fluorinated electrolyte in terms of cycling stability and Coulombic efficiency. The present work underlines the interplay of different phenomena affecting the overall electrochemical performance of electrolytes and strategies for the design of next-generation Mg electrolytes.
{"title":"Effect of ligand variation on Mg alkoxyborate electrolytes: Does more fluorine help?","authors":"Tjaša Pavčnik , Muath Radi , Olivera Lužanin , Rémi Dedryvère , Deyana S. Tchitchekova , Alexandre Ponrouch , Jan Bitenc , Robert Dominko","doi":"10.1016/j.jpowsour.2024.235711","DOIUrl":"10.1016/j.jpowsour.2024.235711","url":null,"abstract":"<div><div>Mg fluorinated alkoxyborate-based electrolytes are promising candidates for rechargeable Mg batteries. In this work, we investigate a series of Mg alkoxyborates with a different degree of anion fluorination in terms of their physicochemical properties, Mg metal anode, and organic cathode electrochemical performance, as well as Mg metal/electrolyte interphase. The results underscore the significant influence of the anion fluorination degree on the transport properties of electrolytes. Notably, the anion with the lowest degree of fluorination exhibits one order of magnitude lower ionic conductivity than electrolytes with more fluorinated anions. Interestingly, the same electrolyte demonstrates the second-best electrochemical performance, with the Mg plating/stripping efficiency close to 99 %. XPS analysis of the Mg metal deposit surface reveals that the high Coulombic efficiency is associated with a high amount of boron-containing species in the metal/electrolyte interphase of the best-performing electrolytes. Additionally, it has been noted that inorganic boron species result in a larger interfacial resistivity for Mg plating/stripping compared to boron species in an organic environment. Testing in combination with organic cathodes reveals the superior performance of the most fluorinated electrolyte in terms of cycling stability and Coulombic efficiency. The present work underlines the interplay of different phenomena affecting the overall electrochemical performance of electrolytes and strategies for the design of next-generation Mg electrolytes.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"626 ","pages":"Article 235711"},"PeriodicalIF":8.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593724","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.jpowsour.2024.235688
I.M.R. Fattah , Jahangir Alom , Jahid Uz Zaman , Sagar Ban , Ibham Veza , M.A. Kalam , Volker Hessel , Mohammad Boshir Ahmed
Microbial fuel cells (MFCs) represent a promising renewable energy source, harnessing the metabolic processes of microorganisms to generate electricity through substrate oxidation. Hydrogels have recently garnered significant attention for their potential to enhance MFC performance and efficiency by addressing critical challenges associated with electrode materials, proton exchange membranes, microbial immobilization, and overall system stability. This review comprehensively explores the latest advancements in hydrogel-based approaches for MFC applications. The article begins with the unique properties of hydrogels related to fuel cells, including their biocompatibility, porosity, ionic transport capability, and tunable physicochemical properties, which make them ideal candidates for MFC applications. Moreover, the review discusses diverse methodologies for incorporating hydrogels into MFCs, including electrode modification, microbial consortium immobilization matrices, and separators. Research findings indicate that incorporating conductive elements into hydrogels or fabricating hybrid hydrogel-based anodes has led to notable improvements in electrical conductivity and power density output. However, further research is imperative to enhance power generation efficiency, long-term stability, and scalable preparation for sustainable MFC operation. This review concludes by discussing the challenges and opportunities associated with the use of hydrogels in MFCs.
{"title":"Hydrogel-derived materials for microbial fuel cell","authors":"I.M.R. Fattah , Jahangir Alom , Jahid Uz Zaman , Sagar Ban , Ibham Veza , M.A. Kalam , Volker Hessel , Mohammad Boshir Ahmed","doi":"10.1016/j.jpowsour.2024.235688","DOIUrl":"10.1016/j.jpowsour.2024.235688","url":null,"abstract":"<div><div>Microbial fuel cells (MFCs) represent a promising renewable energy source, harnessing the metabolic processes of microorganisms to generate electricity through substrate oxidation. Hydrogels have recently garnered significant attention for their potential to enhance MFC performance and efficiency by addressing critical challenges associated with electrode materials, proton exchange membranes, microbial immobilization, and overall system stability. This review comprehensively explores the latest advancements in hydrogel-based approaches for MFC applications. The article begins with the unique properties of hydrogels related to fuel cells, including their biocompatibility, porosity, ionic transport capability, and tunable physicochemical properties, which make them ideal candidates for MFC applications. Moreover, the review discusses diverse methodologies for incorporating hydrogels into MFCs, including electrode modification, microbial consortium immobilization matrices, and separators. Research findings indicate that incorporating conductive elements into hydrogels or fabricating hybrid hydrogel-based anodes has led to notable improvements in electrical conductivity and power density output. However, further research is imperative to enhance power generation efficiency, long-term stability, and scalable preparation for sustainable MFC operation. This review concludes by discussing the challenges and opportunities associated with the use of hydrogels in MFCs.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"625 ","pages":"Article 235688"},"PeriodicalIF":8.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.jpowsour.2024.235763
Ruilin Song , Jingrui Han , Shiwei Tian, Dan Wang, Dong Liu
Herein, we develop a multi-site strategy to boost Li-CO2 battery performance using Co nanoparticles (NPs) loaded nitrogen-doped holey carbon nanotubes (Co@N-hCNT) as high-efficiency cathode catalyst. The Co@N-hCNT possesses high-efficiency multiple active sites of defects, nitrogen sites and Co NPs for reversible conversion of insulating Li2CO3 as well as rapid charge and ion transport provided by the nitrogen-doped holey CNTs. Benefiting from these excellent properties, the as-assembled Li-CO2 battery with Co@N-hCNT cathode shows outstanding electrochemical performance with a low overpotential of 1.03 V at 0.05 A g−1 and a high full discharge capacity of 27952 mA h g−1 at 0.2 A g−1. More importantly, the Li-CO2 battery with Co@N-hCNT exhibits a long-term durability over 220 cycles even at a high current density of 0.5 A g−1. This work opens a new venture for the development of high-efficiency cathode catalysts for Li-CO2 batteries and beyond via a multi-site strategy.
在本文中，我们开发了一种多位点策略，利用负载钴纳米粒子（NPs）的氮掺杂空心碳纳米管（Co@N-hCNT）作为高效阴极催化剂来提高锂-CO2 电池的性能。Co@N-hCNT 具有由缺陷、氮位点和 Co NPs 组成的高效率多活性位点，可实现绝缘 Li2CO3 的可逆转换，而且掺氮孔状碳纳米管可提供快速的电荷和离子传输。得益于这些优异特性，使用 Co@N-hCNT 阴极组装的锂-CO2 电池显示出卓越的电化学性能，在 0.05 A g-1 条件下过电位低至 1.03 V，在 0.2 A g-1 条件下完全放电容量高达 27952 mA h g-1。更重要的是，即使在 0.5 A g-1 的高电流密度下，含有 Co@N-hCNT 的锂-CO2 电池也能在 220 个循环周期内长期耐用。这项工作为通过多位点策略开发锂-CO2 电池及其他电池的高效阴极催化剂开辟了一条新路。
{"title":"A multi-site strategy for boosting Li-CO2 batteries performance","authors":"Ruilin Song , Jingrui Han , Shiwei Tian, Dan Wang, Dong Liu","doi":"10.1016/j.jpowsour.2024.235763","DOIUrl":"10.1016/j.jpowsour.2024.235763","url":null,"abstract":"<div><div>Herein, we develop a multi-site strategy to boost Li-CO<sub>2</sub> battery performance using Co nanoparticles (NPs) loaded nitrogen-doped holey carbon nanotubes (Co@N-hCNT) as high-efficiency cathode catalyst. The Co@N-hCNT possesses high-efficiency multiple active sites of defects, nitrogen sites and Co NPs for reversible conversion of insulating Li<sub>2</sub>CO<sub>3</sub> as well as rapid charge and ion transport provided by the nitrogen-doped holey CNTs. Benefiting from these excellent properties, the as-assembled Li-CO<sub>2</sub> battery with Co@N-hCNT cathode shows outstanding electrochemical performance with a low overpotential of 1.03 V at 0.05 A g<sup>−1</sup> and a high full discharge capacity of 27952 mA h g<sup>−1</sup> at 0.2 A g<sup>−1</sup>. More importantly, the Li-CO<sub>2</sub> battery with Co@N-hCNT exhibits a long-term durability over 220 cycles even at a high current density of 0.5 A g<sup>−1</sup>. This work opens a new venture for the development of high-efficiency cathode catalysts for Li-CO<sub>2</sub> batteries and beyond via a multi-site strategy.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"626 ","pages":"Article 235763"},"PeriodicalIF":8.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.jpowsour.2024.235753
Xi Zhou , Jinyuan Zhang , Kejie Feng , Zilin Qiao , Yindong Wang , Le Shi
Optimizing the flow field is a key approach to enhancing the performance of proton exchange membrane fuel cells. Most previous research on flow field design relies on physical intuitions, lacking systematic exploration of the complex geometries of flow fields. To address these issues, we first generate a comprehensive flow field library containing 28,348 geometries using the Depth-First Search algorithm. Subsequently, we randomly select 480 flow fields from this library and characterize their corresponding fuel cell performance using computational fluid dynamics. These 480 flow fields serve as the dataset for machine learning training. Using the trained neural network, we rapidly predict fuel cell performance and identify high-performance flow fields. Simulation results demonstrate that the predicted high-performance flow fields effectively improve mass transfer and current density distribution, thereby enhancing current density and maximum power density. Experimental validation shows a 10.37 % increase in maximum power density for our optimized flow field design compared to traditional serpentine channels. Additionally, our geometric analysis identifies key features of high-performance flow fields, guiding future designs.
{"title":"Machine learning-assisted design of flow fields for proton exchange membrane fuel cells","authors":"Xi Zhou , Jinyuan Zhang , Kejie Feng , Zilin Qiao , Yindong Wang , Le Shi","doi":"10.1016/j.jpowsour.2024.235753","DOIUrl":"10.1016/j.jpowsour.2024.235753","url":null,"abstract":"<div><div>Optimizing the flow field is a key approach to enhancing the performance of proton exchange membrane fuel cells. Most previous research on flow field design relies on physical intuitions, lacking systematic exploration of the complex geometries of flow fields. To address these issues, we first generate a comprehensive flow field library containing 28,348 geometries using the Depth-First Search algorithm. Subsequently, we randomly select 480 flow fields from this library and characterize their corresponding fuel cell performance using computational fluid dynamics. These 480 flow fields serve as the dataset for machine learning training. Using the trained neural network, we rapidly predict fuel cell performance and identify high-performance flow fields. Simulation results demonstrate that the predicted high-performance flow fields effectively improve mass transfer and current density distribution, thereby enhancing current density and maximum power density. Experimental validation shows a 10.37 % increase in maximum power density for our optimized flow field design compared to traditional serpentine channels. Additionally, our geometric analysis identifies key features of high-performance flow fields, guiding future designs.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"626 ","pages":"Article 235753"},"PeriodicalIF":8.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-06DOI: 10.1016/j.jpowsour.2024.235765
Jae-In Song, Yong-Seok Choi
LiFePO4 (LFP) cathode with olivine crystal structure has been a key player in safe and affordable energy storage, owing to its low-cost iron and high electrochemical stability within a voltage range of commercial electrolytes (2.8–3.4 V). To maintain these benefits while enhancing its energy density, Li2MPO4F was developed by introducing fluorine (F) and replacing iron with other transition metals (M). However, previous studies on these materials primarily measured performance within a limited voltage window (e.g., 2.5–4.5 V), making it challenging to analyze their performance under advanced electrolytes with a broader voltage range. In this study, we took a novel approach by utilizing first principles and molecular dynamic calculations to investigate the electrochemical performance of Li2MPO4F with three types of transition metals (M = V, Fe, Mn). This unique methodology, which includes calculations on theoretical voltages, atomic structures, and diffusion coefficient after structural optimization, allowed us to predict the impact of transition metals on cathode performance. By closely comparing the expected results, this study discusses the pros and cons of each cation substitution and suggests suitable cathode materials for batteries with high energy density and superior rate capability.
{"title":"Unveiling the potential of lithium fluoride phosphate (Li2MPO4F, M = Fe, V, Mn) for the next generation of lithium-ion batteries: A comparative study based on first principles and molecular dynamic simulations","authors":"Jae-In Song, Yong-Seok Choi","doi":"10.1016/j.jpowsour.2024.235765","DOIUrl":"10.1016/j.jpowsour.2024.235765","url":null,"abstract":"<div><div>LiFePO<sub>4</sub> (LFP) cathode with olivine crystal structure has been a key player in safe and affordable energy storage, owing to its low-cost iron and high electrochemical stability within a voltage range of commercial electrolytes (2.8–3.4 V). To maintain these benefits while enhancing its energy density, Li<sub>2</sub>MPO<sub>4</sub>F was developed by introducing fluorine (F) and replacing iron with other transition metals (M). However, previous studies on these materials primarily measured performance within a limited voltage window (e.g., 2.5–4.5 V), making it challenging to analyze their performance under advanced electrolytes with a broader voltage range. In this study, we took a novel approach by utilizing first principles and molecular dynamic calculations to investigate the electrochemical performance of Li<sub>2</sub>MPO<sub>4</sub>F with three types of transition metals (M = V, Fe, Mn). This unique methodology, which includes calculations on theoretical voltages, atomic structures, and diffusion coefficient after structural optimization, allowed us to predict the impact of transition metals on cathode performance. By closely comparing the expected results, this study discusses the pros and cons of each cation substitution and suggests suitable cathode materials for batteries with high energy density and superior rate capability.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"626 ","pages":"Article 235765"},"PeriodicalIF":8.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Multi-stage Constant Current (MCC) is a state-of-the-art fast-charging protocol considering battery aging. It divides the charging process into multiple stages, each with a different current amplitude based on specific transition criteria, significantly influencing battery performance, such as charging time, degradation rate, and thermal effects. A key challenge in designing MCC protocols is addressing the lithium plating (LiP), which can accelerate degradation and pose a severe risk of thermal runaway. Since the LiP onset conditions vary between fresh and aged cells, this paper proposes an optimized MCC (O-MCC) charging protocol suppressing LiP based on the battery's state of health. To accurately simulate LiP conditions, different platforms of reduced-order electrochemical-thermal-life models are designed, compared, and optimized for speed and accuracy using a genetic algorithm, resulting in a 36.4 % reduction in computational time while maintaining the accuracy of the Pseudo Two-Dimensional model. The Nonlinear Model Predictive Control algorithm is then used to optimize the MCC protocol, minimizing charging time while preventing LiP throughout life. Experimental results show that O-MCC reduces charging time by 11.7 % and capacity loss by 59.4 %, enhancing battery safety. Additionally, O-MCCs with varying constraints are developed to meet specific demands and simulated at the battery pack level.
{"title":"Optimized multi-stage constant current fast charging protocol suppressing lithium plating for lithium-ion batteries using reduced order electrochemical-thermal-life model","authors":"Kyungjin Yu , Adekanmi Miracle Adeyinka , Song-Yul Choe , Wooju Lee","doi":"10.1016/j.jpowsour.2024.235759","DOIUrl":"10.1016/j.jpowsour.2024.235759","url":null,"abstract":"<div><div>Multi-stage Constant Current (MCC) is a state-of-the-art fast-charging protocol considering battery aging. It divides the charging process into multiple stages, each with a different current amplitude based on specific transition criteria, significantly influencing battery performance, such as charging time, degradation rate, and thermal effects. A key challenge in designing MCC protocols is addressing the lithium plating (LiP), which can accelerate degradation and pose a severe risk of thermal runaway. Since the LiP onset conditions vary between fresh and aged cells, this paper proposes an optimized MCC (O-MCC) charging protocol suppressing LiP based on the battery's state of health. To accurately simulate LiP conditions, different platforms of reduced-order electrochemical-thermal-life models are designed, compared, and optimized for speed and accuracy using a genetic algorithm, resulting in a 36.4 % reduction in computational time while maintaining the accuracy of the Pseudo Two-Dimensional model. The Nonlinear Model Predictive Control algorithm is then used to optimize the MCC protocol, minimizing charging time while preventing LiP throughout life. Experimental results show that O-MCC reduces charging time by 11.7 % and capacity loss by 59.4 %, enhancing battery safety. Additionally, O-MCCs with varying constraints are developed to meet specific demands and simulated at the battery pack level.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"626 ","pages":"Article 235759"},"PeriodicalIF":8.1,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study investigates the effect of Li+ on the dendritic growth of Zn anodes in the presence of a ZnO passivation layer formed after discharge, with particular attention to the initial recharge process. 0.1 mol dm−3 Li+ effectively suppresses dendrites, while 2 mol dm−3 Li+ addition facilitates the same. The difference in Zn dendrite formation behavior is also indicated by the attenuation tendency of the potential oscillation accompanied by hydrogen evolution reaction during recharge. This is attributed to Li+ concentration dependence of the properties of the ZnO passivation layer formed during Zn anode discharge. Li+ modulates the carrier density of ZnO by altering its crystalline defect characteristics; the carrier density of ZnO with 0.1 mol dm−3 Li+ addition becomes approximately three times as high as that without additive owing to the oxygen vacancies and interstitial zinc that form additional donor level. By contrast, 2 mol dm−3 Li+ reduces the carrier density of ZnO by inducing zinc vacancies to form acceptor levels. The highly conductive ZnO produced by adding 0.1 mol dm−3 Li+ improves the reaction uniformity during recharge, which suppresses dendrite formation. This study provides valuable insight into the mechanisms and control strategies of Zn dendrite growth during the charge-discharge cycling of alkaline Zn rechargeable batteries.
{"title":"Additive effect of Li on electrical property of ZnO passivation layer to control dendritic growth of Zn during recharge processes","authors":"Ayumu Komiya , Tanyanyu Wang , Masahiro Kunimoto , Tsuyoshi Asano , Yoshinori Nishikitani , Takayuki Homma","doi":"10.1016/j.jpowsour.2024.235714","DOIUrl":"10.1016/j.jpowsour.2024.235714","url":null,"abstract":"<div><div>This study investigates the effect of Li<sup>+</sup> on the dendritic growth of Zn anodes in the presence of a ZnO passivation layer formed after discharge, with particular attention to the initial recharge process. 0.1 mol dm<sup>−3</sup> Li<sup>+</sup> effectively suppresses dendrites, while 2 mol dm<sup>−3</sup> Li<sup>+</sup> addition facilitates the same. The difference in Zn dendrite formation behavior is also indicated by the attenuation tendency of the potential oscillation accompanied by hydrogen evolution reaction during recharge. This is attributed to Li<sup>+</sup> concentration dependence of the properties of the ZnO passivation layer formed during Zn anode discharge. Li<sup>+</sup> modulates the carrier density of ZnO by altering its crystalline defect characteristics; the carrier density of ZnO with 0.1 mol dm<sup>−3</sup> Li<sup>+</sup> addition becomes approximately three times as high as that without additive owing to the oxygen vacancies and interstitial zinc that form additional donor level. By contrast, 2 mol dm<sup>−3</sup> Li<sup>+</sup> reduces the carrier density of ZnO by inducing zinc vacancies to form acceptor levels. The highly conductive ZnO produced by adding 0.1 mol dm<sup>−3</sup> Li<sup>+</sup> improves the reaction uniformity during recharge, which suppresses dendrite formation. This study provides valuable insight into the mechanisms and control strategies of Zn dendrite growth during the charge-discharge cycling of alkaline Zn rechargeable batteries.</div></div>","PeriodicalId":377,"journal":{"name":"Journal of Power Sources","volume":"626 ","pages":"Article 235714"},"PeriodicalIF":8.1,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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