Weihao Li, Johannes Döhn, Jinyu Chen, Manuel Dillenz, Mohsen Sotoudeh, David M Pickup, Shunrui Luo, Ryan Parmenter, Jordi Arbiol, Maria Alfredsson, A. V. Chadwick, Axel Gross, Maider Zarrabeitia, Alexey Y. Ganin
{"title":"Reversible K-Ion Intercalation in CrSe2 Cathodes for Potassium-Ion Batteries: Combined Operando PXRD and DFT studies","authors":"Weihao Li, Johannes Döhn, Jinyu Chen, Manuel Dillenz, Mohsen Sotoudeh, David M Pickup, Shunrui Luo, Ryan Parmenter, Jordi Arbiol, Maria Alfredsson, A. V. Chadwick, Axel Gross, Maider Zarrabeitia, Alexey Y. Ganin","doi":"10.1039/d4ta05114a","DOIUrl":null,"url":null,"abstract":"In the pursuit of more affordable battery technologies, potassium-ion batteries (KIBs) have emerged as a promising alternative to lithium-ion systems, owing to the abundance and wide distribution of potassium resources. While chalcogenides are uncommon as intercalation cathodes in KIBs, this study's electrochemical tests on CrSe2 revealed a reversible K+ ion intercalation/deintercalation process. The CrSe2 cathode achieved a KIB battery capacity of 125 mAh/g at a 0.1C rate within a practical 1- 3.5 V vs K+/K operation range, nearly matching the theoretical capacity of 127.7 mAh/g. Notably, the battery retained 85% of its initial capacity at a high 1C rate, suggesting that CrSe2 is competitive for high-power applications with many current state-of-the-art cathodes. In-operando PXRD studies uncovered the nature of the intercalation behavior, revealing an initial biphasic region followed by a solid-solution formation during the potassium intercalation process. DFT calculations helped with the possible assignment of intermediate phase structures across the entire CrSe2 – K1.0CrSe2 composition range, providing insights into the experimentally observed phase transformations. The results of this work underscore CrSe2's potential as a high-performance cathode material for KIBs, offering valuable insights into the intercalation mechanisms of layered transition metal chalcogenides and paving the way for future advancements in optimizing KIB cathodes.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":null,"pages":null},"PeriodicalIF":10.7000,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Materials Chemistry A","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1039/d4ta05114a","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
In the pursuit of more affordable battery technologies, potassium-ion batteries (KIBs) have emerged as a promising alternative to lithium-ion systems, owing to the abundance and wide distribution of potassium resources. While chalcogenides are uncommon as intercalation cathodes in KIBs, this study's electrochemical tests on CrSe2 revealed a reversible K+ ion intercalation/deintercalation process. The CrSe2 cathode achieved a KIB battery capacity of 125 mAh/g at a 0.1C rate within a practical 1- 3.5 V vs K+/K operation range, nearly matching the theoretical capacity of 127.7 mAh/g. Notably, the battery retained 85% of its initial capacity at a high 1C rate, suggesting that CrSe2 is competitive for high-power applications with many current state-of-the-art cathodes. In-operando PXRD studies uncovered the nature of the intercalation behavior, revealing an initial biphasic region followed by a solid-solution formation during the potassium intercalation process. DFT calculations helped with the possible assignment of intermediate phase structures across the entire CrSe2 – K1.0CrSe2 composition range, providing insights into the experimentally observed phase transformations. The results of this work underscore CrSe2's potential as a high-performance cathode material for KIBs, offering valuable insights into the intercalation mechanisms of layered transition metal chalcogenides and paving the way for future advancements in optimizing KIB cathodes.
期刊介绍:
The Journal of Materials Chemistry A, B & C covers a wide range of high-quality studies in the field of materials chemistry, with each section focusing on specific applications of the materials studied. Journal of Materials Chemistry A emphasizes applications in energy and sustainability, including topics such as artificial photosynthesis, batteries, and fuel cells. Journal of Materials Chemistry B focuses on applications in biology and medicine, while Journal of Materials Chemistry C covers applications in optical, magnetic, and electronic devices. Example topic areas within the scope of Journal of Materials Chemistry A include catalysis, green/sustainable materials, sensors, and water treatment, among others.