Sulphides with the formula Na3\u2212xSb1\u2212xWxS4 are promising solid electrolytes for Na-ion batteries due to their high conductivity, malleability, and synthesis via wet-chemistry techniques. These materials can crystallize in either a tetragonal or cubic polymorph, with the cubic polymorph (x \u2265 0.075) offering the highest conductivity and 3D isotropic Na-ion diffusion. However, discrepancies between average and local structures persist at room temperature. This study investigates the composition-structure relationship in Na3\u2212xSb1\u2212xWxS4 using experimental and computational techniques, offering new insights into ionic transport.<\/p>\n","protected":false},"author":93,"featured_media":0,"comment_status":"open","ping_status":"closed","template":"","meta":{"_acf_changed":false,"footnotes":""},"tags":[1302,1373,1300,1301,1299],"targets":[1304,1314,1317],"pubblicazioni_tipologie":[773],"class_list":["post-202823","pubblicazioni","type-pubblicazioni","status-publish","hentry","tag-batteries","tag-electricalstorage","tag-industrial-sector","tag-sodium-ion-batteries","tag-storage-en","targets-industrial-world","targets-press-media-en","targets-research","pubblicazioni_tipologie-isi-article-en"],"acf":{"dont_show_hompage":true,"projects":{"ID":188409,"post_author":"93","post_date":"2024-06-13 15:10:21","post_date_gmt":"2024-06-13 13:10:21","post_content":"","post_title":"Electrochemical and thermal storage technologies","post_excerpt":"The goal of this project is to develop electrochemical and thermal storage technologies with improved performance and greater environmental and economic sustainability by optimizing the use of resources, material formulations and synthesis methods, diagnostic and control processes, and prototype design.","post_status":"publish","comment_status":"open","ping_status":"closed","post_password":"","post_name":"electrochemical-and-thermal-storage-technologies","to_ping":"","pinged":"","post_modified":"2024-07-06 15:23:41","post_modified_gmt":"2024-07-06 13:23:41","post_content_filtered":"","post_parent":0,"guid":"https:\/\/www.rse-web.it\/progetti\/electrochemical-and-thermal-storage-technologies\/","menu_order":0,"post_type":"progetti","post_mime_type":"","comment_count":"0","filter":"raw"},"order_posts":"","dont_show_search":false,"related_posts":false,"show_on_slider":false,"single_post_data":{"titolo_spot":"","post_content":"
Sulphides with general formula Na3\u2212xSb1\u2212xWxS4 are promising solid state electrolytes for Na-ion batteries (SIBs), thanks to their high conductivity at room temperature, their high malleability and the possibility to synthesis them through wet-chemistry techniques.<\/p>\n
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The materials can crystallize either in a tetragonal or a cubic polymorph as a function of composition, with the highest conductive form being the cubic polymorph (for x \u2265 0.075), for which the Na ion diffusion pathways are expected to be 3D and isotropic.<\/p>\n
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However, the existence of a discrepancy at room temperature between average and local structure is known even for higher substituted systems. Here we investigate the effect of composition and structure on the transport properties of the Na3\u2212xSb1\u2212xWxS4 system by combining experimental and computational techniques, including synchrotron X-ray diffraction (XRD), pair distribution function (PDF) analysis, bond valence site energy (BVSE) analysis and classical molecular dynamics (MD).<\/p>\n
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The results obtained from long time-scale MD provide new insights into the mechanistic features of ionic transport in this family of sulphide electrolytes and highlight their subtle interplay with the average and local structure of these materials.<\/p>\n","scarica_file":false,"link_estreno":[{"link_text":"Download Publication","link":"https:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2024\/ta\/d4ta04541f"}],"button":{"text":"","link":""},"referente_group":false,"data_emissione":"2024-09-13","autori":"M. Ravalli, S. C. Tarantino (Universit\u00e0 di Pavia), M. Soleimanzade, M. Radaelli (RSE S.p.A.), M. Scavini, C. Tealdi (Politecnico di Milano)","destinazione":"Royal Society of Chemistry Journal of Materials Chemistry A, Issue 46","rif_rse":"24011161"},"satellite_post_url":""},"yoast_head":"\n