Abiram Krishnan, Doyoub Kim, Cherno Jaye and Faisal M Alamgir*,
{"title":"用软硬x射线吸收和发射光谱研究Li1-xFePO4阴离子活性和亚稳相形成","authors":"Abiram Krishnan, Doyoub Kim, Cherno Jaye and Faisal M Alamgir*, ","doi":"10.1021/acsmaterialslett.4c0238910.1021/acsmaterialslett.4c02389","DOIUrl":null,"url":null,"abstract":"<p >We systematically investigate the intricate roles of cations as well as anions during phase transformation, specifically, the formation of a metastable phase in phospho-olivine, LiFePO<sub>4</sub> (LFP). The cation- and anion-specific electronic structures are studied using a combination of high-resolution soft-to-hard X-ray absorption and emission spectroscopy. Our findings reveal that the formation of the metastable phase at higher states-of-charge (SoC) is associated with a decreased oxidation state of iron, assisted by oxygen release. Additionally, we find that phosphorus is active in the charge process, exhibiting reduction, resulting from an electron density redistribution between oxygen and its neighboring iron and phosphorus atoms. Furthermore, the phase transformation process in LFP impacts its magnetic properties, with iron retaining its high-spin configuration along with an increased average spin during its transformation into FePO<sub>4</sub> (FP).</p>","PeriodicalId":19,"journal":{"name":"ACS Materials Letters","volume":"7 5","pages":"1956–1962 1956–1962"},"PeriodicalIF":9.6000,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsmaterialslett.4c02389","citationCount":"0","resultStr":"{\"title\":\"Anion Activity and Metastable Phase Formation in Li1–xFePO4 Investigated Using Soft-to-Hard X-ray Absorption and Emission Spectroscopy\",\"authors\":\"Abiram Krishnan, Doyoub Kim, Cherno Jaye and Faisal M Alamgir*, \",\"doi\":\"10.1021/acsmaterialslett.4c0238910.1021/acsmaterialslett.4c02389\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >We systematically investigate the intricate roles of cations as well as anions during phase transformation, specifically, the formation of a metastable phase in phospho-olivine, LiFePO<sub>4</sub> (LFP). The cation- and anion-specific electronic structures are studied using a combination of high-resolution soft-to-hard X-ray absorption and emission spectroscopy. Our findings reveal that the formation of the metastable phase at higher states-of-charge (SoC) is associated with a decreased oxidation state of iron, assisted by oxygen release. Additionally, we find that phosphorus is active in the charge process, exhibiting reduction, resulting from an electron density redistribution between oxygen and its neighboring iron and phosphorus atoms. Furthermore, the phase transformation process in LFP impacts its magnetic properties, with iron retaining its high-spin configuration along with an increased average spin during its transformation into FePO<sub>4</sub> (FP).</p>\",\"PeriodicalId\":19,\"journal\":{\"name\":\"ACS Materials Letters\",\"volume\":\"7 5\",\"pages\":\"1956–1962 1956–1962\"},\"PeriodicalIF\":9.6000,\"publicationDate\":\"2025-04-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://pubs.acs.org/doi/epdf/10.1021/acsmaterialslett.4c02389\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Materials Letters\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acsmaterialslett.4c02389\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Materials Letters","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsmaterialslett.4c02389","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Anion Activity and Metastable Phase Formation in Li1–xFePO4 Investigated Using Soft-to-Hard X-ray Absorption and Emission Spectroscopy
We systematically investigate the intricate roles of cations as well as anions during phase transformation, specifically, the formation of a metastable phase in phospho-olivine, LiFePO4 (LFP). The cation- and anion-specific electronic structures are studied using a combination of high-resolution soft-to-hard X-ray absorption and emission spectroscopy. Our findings reveal that the formation of the metastable phase at higher states-of-charge (SoC) is associated with a decreased oxidation state of iron, assisted by oxygen release. Additionally, we find that phosphorus is active in the charge process, exhibiting reduction, resulting from an electron density redistribution between oxygen and its neighboring iron and phosphorus atoms. Furthermore, the phase transformation process in LFP impacts its magnetic properties, with iron retaining its high-spin configuration along with an increased average spin during its transformation into FePO4 (FP).
期刊介绍：
ACS Materials Letters is a journal that publishes high-quality and urgent papers at the forefront of fundamental and applied research in the field of materials science. It aims to bridge the gap between materials and other disciplines such as chemistry, engineering, and biology. The journal encourages multidisciplinary and innovative research that addresses global challenges. Papers submitted to ACS Materials Letters should clearly demonstrate the need for rapid disclosure of key results. The journal is interested in various areas including the design, synthesis, characterization, and evaluation of emerging materials, understanding the relationships between structure, property, and performance, as well as developing materials for applications in energy, environment, biomedical, electronics, and catalysis. The journal has a 2-year impact factor of 11.4 and is dedicated to publishing transformative materials research with fast processing times. The editors and staff of ACS Materials Letters actively participate in major scientific conferences and engage closely with readers and authors. The journal also maintains an active presence on social media to provide authors with greater visibility.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
