ACS Materials Letters最新文献

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In Situ Transmission Electron Microscopy Advancing Cathodal Dynamic Visualization in All-Solid-State Battery 原位透射电子显微镜推进全固态电池的阴极动态可视化
IF 19.3 1区 化学
ACS Materials Letters Pub Date : 2024-10-09 DOI: 10.1021/acsenergylett.4c0187810.1021/acsenergylett.4c01878
Yue Zheng, Lei Hu, Wenru Li, Tianpeng Huang, Jun Ma*, Shanmu Dong* and Guanglei Cui*, 
{"title":"In Situ Transmission Electron Microscopy Advancing Cathodal Dynamic Visualization in All-Solid-State Battery","authors":"Yue Zheng,&nbsp;Lei Hu,&nbsp;Wenru Li,&nbsp;Tianpeng Huang,&nbsp;Jun Ma*,&nbsp;Shanmu Dong* and Guanglei Cui*,&nbsp;","doi":"10.1021/acsenergylett.4c0187810.1021/acsenergylett.4c01878","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01878https://doi.org/10.1021/acsenergylett.4c01878","url":null,"abstract":"<p >All-solid-state battery (ASSB) technology is one of the most promising approaches to energy storage due to its great safety and energy density. However, the detrimental effects of cathodal structure/morphology/composition/conductivity evolution on electrochemical performance significantly restrict the development of ASSBs. To elaborately investigate these cathodal dynamic evolution processes and deterioration mechanisms of ASSBs, <i>in situ</i> transmission electron microscopy (TEM) technology has been extensively introduced into the ASSB research. This paper discusses the latest important scientific discoveries toward cathodal dynamic evolution in multitype ASSBs through <i>in situ</i> TEM and highlights key challenges for <i>in situ</i> TEM to analyze ASSB cathodes with a higher spatial resolution. Lastly, insights for future directions of <i>in situ</i> TEM monitoring multiscale electro-chemo-mechanical evolution of ASSBs are prospectively provided. This Review will deepen the fundamental understanding of cathodal dynamic mechanisms and open new opportunities for the optimization and development of <i>in situ</i> TEM in ASSBs.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5296–5309 5296–5309"},"PeriodicalIF":19.3,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cationic and Anionic Dual Redox Activity of MoS2 for Electrochemical Potassium Storage. 用于电化学钾存储的 MoS2 的阳离子和阴离子双重氧化还原活性。
IF 9.6 1区 化学
ACS Materials Letters Pub Date : 2024-10-09 eCollection Date: 2024-11-04 DOI: 10.1021/acsmaterialslett.4c01455
Ajay Piriya Vijaya Kumar Saroja, Yupei Han, Charlie A F Nason, Gopinathan Sankar, Pan He, Yi Lu, Henry R Tinker, Andrew Stewart, Veronica Celorrio, Min Zhou, Jiayan Luo, Yang Xu
{"title":"Cationic and Anionic Dual Redox Activity of MoS<sub>2</sub> for Electrochemical Potassium Storage.","authors":"Ajay Piriya Vijaya Kumar Saroja, Yupei Han, Charlie A F Nason, Gopinathan Sankar, Pan He, Yi Lu, Henry R Tinker, Andrew Stewart, Veronica Celorrio, Min Zhou, Jiayan Luo, Yang Xu","doi":"10.1021/acsmaterialslett.4c01455","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.4c01455","url":null,"abstract":"<p><p>MoS<sub>2</sub> is regarded as one of the most promising potassium-ion battery (PIB) anodes. Despite the great progress to enhance its electrochemical performance, understanding of the electrochemical mechanism to store K-ions in MoS<sub>2</sub> remains unclear. This work reports that the K storage process in MoS<sub>2</sub> follows a complex reaction pathway involving the conversion reactions of Mo and S, showing both cationic redox activity of Mo and anionic redox activity of S. The presence of dual redox activity, characterized in-depth through synchrotron X-ray absorption, X-ray photoelectron, Raman, and UV-vis spectroscopies, reveals that the irreversible Mo oxidation during the depotassiation process directs the reaction pathway toward S oxidation, which leads to the occurrence of K-S electrochemistry in the (de)potassiation process. Moreover, the dual reaction pathway can be adjusted by controlling the discharge depth at different cycling stages of MoS<sub>2</sub>, realizing a long-term stable cycle life of MoS<sub>2</sub> as a PIB anode.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"6 11","pages":"5031-5038"},"PeriodicalIF":9.6,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11539095/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142602234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Gas Quenched Alternating Cations in the Interlayer Space Quasi-2D (GA)(MA)5Pb5I16 Perovskite for Radiation Tolerant Single Junction and Stable Monolithic Quasi-2D Perovskite-Silicon Tandem Solar Cells 层间空间准二维 (GA)(MA)5Pb5I16 Perovskite 中的气淬交替阳离子用于耐辐射单结和稳定的单片准二维 Perovskite 硅串联太阳能电池
IF 19.3 1区 化学
ACS Materials Letters Pub Date : 2024-10-09 DOI: 10.1021/acsenergylett.4c0209810.1021/acsenergylett.4c02098
Chwenhaw Liao, Runmin Tao, Guoliang Wang, Weiyuan Duan, Jueming Bing, Christopher G. Bailey, Tik Lun Leung, Zhuofeng Li, Chiung-Han Chen, Laura Granados Caro, Zeljko Pastuovic, Stefania Peracchi, Ryan Drury, Alan Xu, Ceri Brenner, Dane R. McCamey, Hieu T. Nguyen, Andreas Lambertz, Chu-Chen Chueh, Kaining Ding, David R. McKenzie, Jianghui Zheng*, Md Arafat Mahmud* and Anita W. Y. Ho-Baillie*, 
{"title":"Gas Quenched Alternating Cations in the Interlayer Space Quasi-2D (GA)(MA)5Pb5I16 Perovskite for Radiation Tolerant Single Junction and Stable Monolithic Quasi-2D Perovskite-Silicon Tandem Solar Cells","authors":"Chwenhaw Liao,&nbsp;Runmin Tao,&nbsp;Guoliang Wang,&nbsp;Weiyuan Duan,&nbsp;Jueming Bing,&nbsp;Christopher G. Bailey,&nbsp;Tik Lun Leung,&nbsp;Zhuofeng Li,&nbsp;Chiung-Han Chen,&nbsp;Laura Granados Caro,&nbsp;Zeljko Pastuovic,&nbsp;Stefania Peracchi,&nbsp;Ryan Drury,&nbsp;Alan Xu,&nbsp;Ceri Brenner,&nbsp;Dane R. McCamey,&nbsp;Hieu T. Nguyen,&nbsp;Andreas Lambertz,&nbsp;Chu-Chen Chueh,&nbsp;Kaining Ding,&nbsp;David R. McKenzie,&nbsp;Jianghui Zheng*,&nbsp;Md Arafat Mahmud* and Anita W. Y. Ho-Baillie*,&nbsp;","doi":"10.1021/acsenergylett.4c0209810.1021/acsenergylett.4c02098","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02098https://doi.org/10.1021/acsenergylett.4c02098","url":null,"abstract":"<p >Here, we report gas-quenched quasi-2D (GA)(MA)<sub>5</sub>Pb<sub>5</sub>I<sub>16</sub> perovskites for single junction solar cells and monolithic-silicon tandem solar cells. This is the first time quasi-2D (GA)(MA)<sub>5</sub>Pb<sub>5</sub>I<sub>16</sub> perovskite cells have been tested with proton beams, showing excellent tolerance. A representative tandem cell also passed the IEC 61215 Thermal Cycling Test (−40 °C ↔ 85 °C) twice, retaining 95.0% of its initial PCE after 400 cycles.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5310–5318 5310–5318"},"PeriodicalIF":19.3,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609439","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluating Fire and Smoke Risks with Lithium-Ion Cells, Modules, and Batteries 评估锂离子电池、模块和电池的火灾和烟雾风险
IF 19.3 1区 化学
ACS Materials Letters Pub Date : 2024-10-09 DOI: 10.1021/acsenergylett.4c0248010.1021/acsenergylett.4c02480
Byoungchul Kwon, Alexandra Schraiber and Judith A. Jeevarajan*, 
{"title":"Evaluating Fire and Smoke Risks with Lithium-Ion Cells, Modules, and Batteries","authors":"Byoungchul Kwon,&nbsp;Alexandra Schraiber and Judith A. Jeevarajan*,&nbsp;","doi":"10.1021/acsenergylett.4c0248010.1021/acsenergylett.4c02480","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02480https://doi.org/10.1021/acsenergylett.4c02480","url":null,"abstract":"<p >The study included characterization of the components of fire and smoke during thermal runaway for NMC and LFP cells, modules, and batteries and to determine if the size and volume of fire and smoke released scaleup linearly when one goes from the cell to module and then to a battery configuration for the same cathode chemistry. Thermal runaway tests were conducted in ambient as well as inert environments to characterize gas release with and without combustion. During thermal runaway, the test articles exhibited fire, smoke, or both. Gas analysis exhibited hydrocarbons as well as hydrogen and carbon dioxide that could accumulate above the lower flammability limit (LFL) of the gas mixture if released into an enclosure. The nature of fire and volume of smoke released do not always scale linearly with an increasing number of cells, showing that testing in the relevant configuration and environment is imperative. A good understanding of gases released into a certain enclosed space will help with safer vent and deflagration designs and provide a warning to first responders and firefighters of the expected nature of gases.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5319–5328 5319–5328"},"PeriodicalIF":19.3,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsenergylett.4c02480","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609440","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Energy Level Tuning in Conjugated Donor Polymers by Chalcogen Exchange for Low Dark Current Organic Photodetectors. 通过卤素交换调整共轭供体聚合物的能级,实现低暗电流有机光电探测器。
IF 9.6 1区 化学
ACS Materials Letters Pub Date : 2024-10-08 eCollection Date: 2024-11-04 DOI: 10.1021/acsmaterialslett.4c01899
Martina Rimmele, Zhuoran Qiao, Filip Aniés, Adam V Marsh, Aren Yazmaciyan, George Harrison, Shadi Fatayer, Nicola Gasparini, Martin Heeney
{"title":"Energy Level Tuning in Conjugated Donor Polymers by Chalcogen Exchange for Low Dark Current Organic Photodetectors.","authors":"Martina Rimmele, Zhuoran Qiao, Filip Aniés, Adam V Marsh, Aren Yazmaciyan, George Harrison, Shadi Fatayer, Nicola Gasparini, Martin Heeney","doi":"10.1021/acsmaterialslett.4c01899","DOIUrl":"https://doi.org/10.1021/acsmaterialslett.4c01899","url":null,"abstract":"<p><p>The performance of organic photodetectors (OPDs) using conjugated polymer donors and molecular acceptors has improved rapidly, but many polymers are difficult to upscale due to their complex structures. This study examines two low-complexity thiophene copolymers with substituted benzooxadiazole (<b>FO6-BO-T</b>) or benzothiadiazole (<b>FO6-T</b>). Substituting sulfur with oxygen in <b>FO6-BO-T</b> increased its ionization energy without affecting the optical gap. When blended with the nonfullerene acceptor IDSe, <b>FO6-BO-T</b> showed a significantly lower dark current density (2.06·10<sup>-9</sup> A cm<sup>-2</sup> at -2 V) compared to <b>FO6-T</b>. Grazing incidence wide-angle X-ray scattering (GIWAXS) measurements demonstrated that pristine <b>FO6-BO-T</b> exhibited a more ordered morphology than <b>FO6-T</b>. However, blending resulted in a significant disruption to the ordered domains in both cases, with a loss of orientational order, suggesting that <b>FO6-BO-T</b>'s improved performance is largely related to its increased ionization energy. This study demonstrates the potential of chalcogen atom engineering to enhance the performance of the OPD in scalable polymers.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"6 11","pages":"5006-5015"},"PeriodicalIF":9.6,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11539101/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142602236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Adjusting the Crystallization of Tin Perovskites through Thiophene Additives for Improved Photovoltaic Stability 通过噻吩添加剂调节锡包铝晶体的结晶以提高光伏稳定性
IF 19.3 1区 化学
ACS Materials Letters Pub Date : 2024-10-08 DOI: 10.1021/acsenergylett.4c0187510.1021/acsenergylett.4c01875
Omar E. Solis, Miriam Mínguez-Avellán, Pablo F. Betancur, Raúl I. Sánchez- Alarcón, Isabelle Rodriguez, Juan P. Martínez-Pastor, Teresa S. Ripolles*, Rafael Abargues* and Pablo P. Boix*, 
{"title":"Adjusting the Crystallization of Tin Perovskites through Thiophene Additives for Improved Photovoltaic Stability","authors":"Omar E. Solis,&nbsp;Miriam Mínguez-Avellán,&nbsp;Pablo F. Betancur,&nbsp;Raúl I. Sánchez- Alarcón,&nbsp;Isabelle Rodriguez,&nbsp;Juan P. Martínez-Pastor,&nbsp;Teresa S. Ripolles*,&nbsp;Rafael Abargues* and Pablo P. Boix*,&nbsp;","doi":"10.1021/acsenergylett.4c0187510.1021/acsenergylett.4c01875","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01875https://doi.org/10.1021/acsenergylett.4c01875","url":null,"abstract":"<p >Tin-based perovskites (Sn-PVK) are promising lead-free alternatives for efficient photovoltaic technology, but they face challenges related to bulk and surface defects due to suboptimal crystallization and Sn<sup>2+</sup> oxidation. Introducing thiophene-2-ethylammonium halides (TEAX, where X = I, Br, Cl) improves FASnI<sub>3</sub> crystallization and reduces Sn<sup>4+</sup> formation. This is achieved by adjusting the crystallization dynamics through the formation of a complex between S and Sn during the preparation of the precursor solution, which also inhibits Sn<sup>2+</sup> oxidation in the resulting films. In solar cells, these additives boost power conversion efficiency (PCE) from 6.6% (without additives) to 9.4% (using TEABr), with further enhancement to 12% by adjusting selective contacts. The addition of TEAX also increases the Sn<sup>2+</sup> content, outperforming control. Devices with TEABr maintained over 95% of their initial PCE after 2000 h in N<sub>2</sub> under continuous operation with 1 sun simulated illumination.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5288–5295 5288–5295"},"PeriodicalIF":19.3,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsenergylett.4c01875","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609460","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advanced Single-Ion Conducting Block Copolymer Electrolyte for Safer and Less Costly Lithium–Metal Batteries 先进的单离子导电嵌段共聚物电解质可实现更安全、成本更低的锂金属电池
IF 19.3 1区 化学
ACS Materials Letters Pub Date : 2024-10-08 DOI: 10.1021/acsenergylett.4c0208110.1021/acsenergylett.4c02081
Xu Dong, Alexander Mayer, Zhen Chen, Stefano Passerini* and Dominic Bresser*, 
{"title":"Advanced Single-Ion Conducting Block Copolymer Electrolyte for Safer and Less Costly Lithium–Metal Batteries","authors":"Xu Dong,&nbsp;Alexander Mayer,&nbsp;Zhen Chen,&nbsp;Stefano Passerini* and Dominic Bresser*,&nbsp;","doi":"10.1021/acsenergylett.4c0208110.1021/acsenergylett.4c02081","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02081https://doi.org/10.1021/acsenergylett.4c02081","url":null,"abstract":"<p >High-performance polymer electrolyte systems for lithium–metal batteries (LMBs) commonly contain a relatively high amount of fluorine to stabilize the electrode|electrolyte interfaces, particularly that with lithium metal. Herein, we report an advanced single-ion conducting polymer electrolyte that contains less fluorine in the backbone than previous systems, enabling a significant cost reduction, while still providing highly stable cycling of LMB cells containing LiNi<sub>0.6</sub>Co<sub>0.2</sub>Mn<sub>0.2</sub>O<sub>2</sub> (NCM<sub>622</sub>) and LiNi<sub>0.8</sub>Co<sub>0.1</sub>Mn<sub>0.1</sub>O<sub>2</sub> (NCM<sub>811</sub>) positive electrodes. Moreover, we show that the choice of the incorporated “molecular transporters”, i.e., small molecules with high mobility and a high dielectric constant to facilitate the Li<sup>+</sup> transport, is essential for achieving high-performance LMB cells. In fact, the transition from pure ethylene carbonate to a mixture with propylene carbonate allows for an extended electrochemical stability toward oxidation and higher limiting current density, resulting in enhanced rate capability and cycling stability of Li∥NCM cells─and the possibility to cycle these cells also at ambient temperature.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5279–5287 5279–5287"},"PeriodicalIF":19.3,"publicationDate":"2024-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
SEI Formation and Lithium-Ion Electrodeposition Dynamics in Lithium Metal Batteries via First-Principles Kinetic Monte Carlo Modeling 通过第一原理动力学蒙特卡洛建模研究锂金属电池中 SEI 的形成和锂离子电沉积动力学
IF 19.3 1区 化学
ACS Materials Letters Pub Date : 2024-10-07 DOI: 10.1021/acsenergylett.4c0201910.1021/acsenergylett.4c02019
Saul Perez-Beltran, Dacheng Kuai and Perla B. Balbuena*, 
{"title":"SEI Formation and Lithium-Ion Electrodeposition Dynamics in Lithium Metal Batteries via First-Principles Kinetic Monte Carlo Modeling","authors":"Saul Perez-Beltran,&nbsp;Dacheng Kuai and Perla B. Balbuena*,&nbsp;","doi":"10.1021/acsenergylett.4c0201910.1021/acsenergylett.4c02019","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02019https://doi.org/10.1021/acsenergylett.4c02019","url":null,"abstract":"<p >The stabilization and enhanced performance of lithium metal batteries (LMBs) depend on the formation and evolution of the Solid Electrolyte Interphase (SEI) layer as a critical component for regulating the Li metal electrodeposition processes. This study employs a first-principles kinetic Monte Carlo (kMC) model to simulate the SEI formation and Li<sup>+</sup> electrodeposition processes on a lithium metal anode, integrating both the electrochemical electrolyte reduction reactions and the diffusion events giving place to the SEI aggregation processes during battery charge and discharge processes. The model replicates the competitive interactions between organic and inorganic SEI components, emphasizing the influence of the cycling regime. Results indicate that grain boundaries within the SEI facilitate faster lithium-ion transport compared to crystalline regions, crucial for improving the performance and stability of LMBs. The findings underscore the importance of dynamic SEI modeling for further development of next-generation high-energy-density batteries.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 11","pages":"5268–5278 5268–5278"},"PeriodicalIF":19.3,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsenergylett.4c02019","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142609561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Digital Twin Battery Modeling and Simulations: A New Analysis and Design Tool for Rechargeable Batteries 数字孪生电池建模与仿真:可充电电池的新型分析和设计工具
IF 19.3 1区 化学
ACS Materials Letters Pub Date : 2024-10-03 DOI: 10.1021/acsenergylett.4c0193110.1021/acsenergylett.4c01931
Suhwan Kim, Hyobin Lee, Jaejin Lim, Joonam Park and Yong Min Lee*, 
{"title":"Digital Twin Battery Modeling and Simulations: A New Analysis and Design Tool for Rechargeable Batteries","authors":"Suhwan Kim,&nbsp;Hyobin Lee,&nbsp;Jaejin Lim,&nbsp;Joonam Park and Yong Min Lee*,&nbsp;","doi":"10.1021/acsenergylett.4c0193110.1021/acsenergylett.4c01931","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c01931https://doi.org/10.1021/acsenergylett.4c01931","url":null,"abstract":"<p >The intricate correlation between microstructural properties and performance in lithium rechargeable batteries necessitates advanced methods to elucidate their mechanisms. In this regard, digital twin simulations have been utilized by creating virtual replicas that simulate battery behaviors and performances under various conditions. However, the relationship between microstructural parameters and battery performances is still not fully understood. This focus review aims to revisit the state of digital twin simulations, with a particular focus on its effectiveness for analyzing microstructures and unraveling the hidden parameters. For this purpose, we explore microstructure formation and validation methods as top-down and bottom-up simulation techniques and provide a comprehensive view of multiphysics approaches for understanding the electrochemical, mechanical, and thermal behaviors. Finally, we discuss the potential of artificial intelligence (AI)-driven multiscale modeling strategies and dynamic simulations, offering insights into how digital twin technology can advance battery design and optimization for enhanced performance and safety.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5225–5239 5225–5239"},"PeriodicalIF":19.3,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142407456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Origins of Nanoalloy Catalysts Degradation during Membrane Electrode Assembly Fabrication 膜电极组装过程中纳米合金催化剂降解的起源
IF 19.3 1区 化学
ACS Materials Letters Pub Date : 2024-10-03 DOI: 10.1021/acsenergylett.4c0235010.1021/acsenergylett.4c02350
Michal Ronovský, Olivia Dunseath, Tomáš Hrbek, Peter Kúš, Matija Gatalo, Shlomi Polani, Jan Kubát, Daniel Götz, Hridya Nedumkulam, Andrea Sartori, Enrico Petrucco, Francisco Ruiz-Zepeda, Nejc Hodnik, Alex Martinez Bonastre, Peter Strasser and Jakub Drnec*, 
{"title":"Origins of Nanoalloy Catalysts Degradation during Membrane Electrode Assembly Fabrication","authors":"Michal Ronovský,&nbsp;Olivia Dunseath,&nbsp;Tomáš Hrbek,&nbsp;Peter Kúš,&nbsp;Matija Gatalo,&nbsp;Shlomi Polani,&nbsp;Jan Kubát,&nbsp;Daniel Götz,&nbsp;Hridya Nedumkulam,&nbsp;Andrea Sartori,&nbsp;Enrico Petrucco,&nbsp;Francisco Ruiz-Zepeda,&nbsp;Nejc Hodnik,&nbsp;Alex Martinez Bonastre,&nbsp;Peter Strasser and Jakub Drnec*,&nbsp;","doi":"10.1021/acsenergylett.4c0235010.1021/acsenergylett.4c02350","DOIUrl":"https://doi.org/10.1021/acsenergylett.4c02350https://doi.org/10.1021/acsenergylett.4c02350","url":null,"abstract":"<p >Despite extensive efforts to reduce the costs of high-performance electrochemical devices, incorporating catalyst materials frequently falls short of achieving performance targets. Platinum alloys, known for their high oxygen reduction activity, exemplify this challenge due to integration difficulties. Here, we introduce an in situ X-ray diffraction approach to investigate structural changes in PtCo and PtNi catalysts during ink preparation. Contrary to previous assumptions that acidity is the main factor driving catalyst dissolution, our findings demonstrate that temperature plays a more critical role. Additionally, we observe rapid structural degradation during the hot-pressing of catalyst-coated membranes (CCMs), a critical yet often unavoidable processing step. These results indicate that significant catalyst deactivation can occur before operation, emphasizing the need for optimized fabrication processes. This study highlights the importance of refining ink formulation and processing protocols to fully leverage advanced materials in CCM-based energy conversion systems.</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"9 10","pages":"5251–5258 5251–5258"},"PeriodicalIF":19.3,"publicationDate":"2024-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142407462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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