{"title":"Rationalizing the alkali ions distribution along the honeycomb layered (Li,Na)2SnO3 pseudo solid solution","authors":"Romain Berthelot , Carla Crobu , Eunice Mumba Mpanga , Bernard Fraisse , Marie-Liesse Doublet","doi":"10.1016/j.progsolidstchem.2023.100403","DOIUrl":null,"url":null,"abstract":"<div><p>Alkali-rich layered oxides Li<sub>2</sub>SnO<sub>3</sub> and Na<sub>2</sub>SnO<sub>3</sub><span> are isostructural, but no alkali-mixed compositions have been reported so far. While the thermodynamic stability of such mixed compositions is predicted by DFT calculations mainly for the sodium-rich side, single-phase compounds Li</span><sub>2-<em>x</em></sub>Na<sub><em>x</em></sub>SnO<sub>3</sub> were successfully obtained in the whole composition range (0 ≤ <em>x</em> ≤ 2) by conventional solid-state synthesis thanks to a quenching procedure at the end of the heat treatment. From Li<sub>2</sub>SnO<sub>3</sub> to Na<sub>2</sub>SnO<sub>2</sub>, the evolution of the cell parameters and the DFT calculations demonstrate that the lithium-to-sodium substitution occurs firstly inside the alkali layer up to Li<sub>0.5</sub>Na<sub>1.5</sub>SnO<sub>3</sub> and then in the honeycomb layer.</p></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":null,"pages":null},"PeriodicalIF":9.1000,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Progress in Solid State Chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0079678623000146","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
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Abstract
Alkali-rich layered oxides Li2SnO3 and Na2SnO3 are isostructural, but no alkali-mixed compositions have been reported so far. While the thermodynamic stability of such mixed compositions is predicted by DFT calculations mainly for the sodium-rich side, single-phase compounds Li2-xNaxSnO3 were successfully obtained in the whole composition range (0 ≤ x ≤ 2) by conventional solid-state synthesis thanks to a quenching procedure at the end of the heat treatment. From Li2SnO3 to Na2SnO2, the evolution of the cell parameters and the DFT calculations demonstrate that the lithium-to-sodium substitution occurs firstly inside the alkali layer up to Li0.5Na1.5SnO3 and then in the honeycomb layer.
期刊介绍：
Progress in Solid State Chemistry offers critical reviews and specialized articles written by leading experts in the field, providing a comprehensive view of solid-state chemistry. It addresses the challenge of dispersed literature by offering up-to-date assessments of research progress and recent developments. Emphasis is placed on the relationship between physical properties and structural chemistry, particularly imperfections like vacancies and dislocations. The reviews published in Progress in Solid State Chemistry emphasize critical evaluation of the field, along with indications of current problems and future directions. Papers are not intended to be bibliographic in nature but rather to inform a broad range of readers in an inherently multidisciplinary field by providing expert treatises oriented both towards specialists in different areas of the solid state and towards nonspecialists. The authorship is international, and the subject matter will be of interest to chemists, materials scientists, physicists, metallurgists, crystallographers, ceramists, and engineers interested in the solid state.
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