{"id":7519,"date":"2025-09-15T15:40:03","date_gmt":"2025-09-15T15:40:03","guid":{"rendered":"https:\/\/physicsschool.um6p.ma\/?p=7519"},"modified":"2025-09-15T15:40:03","modified_gmt":"2025-09-15T15:40:03","slug":"physics-seminar-september-18-enhancing-the-electrochemical-performance-of-limnpo%e2%82%84-as-a-cathode-material-for-li-ion-batteries-through-doping-and-strain-insights-from-dft-calculations","status":"publish","type":"post","link":"https:\/\/physicsschool.um6p.ma\/?p=7519","title":{"rendered":"Physics Seminar &#8211; September 18 &#8211; Enhancing the Electrochemical Performance of LiMnPO\u2084 as a Cathode Material for Li-ion Batteries through Doping and Strain: Insights from DFT Calculations"},"content":{"rendered":"<h2 data-ogsb=\"white\">Enhancing the Electrochemical Performance of LiMnPO\u2084 as a Cathode Material for Li-ion Batteries through Doping and Strain: Insights from DFT Calculations<\/h2>\n<p><span data-olk-copy-source=\"MessageBody\">Dr. Said Oukahou,<br \/>\n<\/span><span data-olk-copy-source=\"MessageBody\">Postdoctoral researcher at the Italian National Research Council (CNR)<\/span><\/p>\n<p>The School of Applied and Engineering Physics Seminar Series will occur on <b data-ogsc=\"\" data-olk-copy-source=\"MessageBody\">Thursday, September 18<sup data-ogsc=\"\">th<\/sup>\u00a0at 3:30 PM<\/b>, at the UM6P Ben Guerir Campus (Ryad 5, 1st floor). We will welcome <b data-ogsc=\"\">Dr. Said Oukahou.<\/b><\/p>\n<p><span style=\"text-decoration: underline;\"><b><span lang=\"EN-US\">Abstract:<\/span><\/b><\/span><\/p>\n<div data-ogsc=\"black\" data-ogsb=\"rgb(255, 255, 255)\" data-olk-copy-source=\"MessageBody\">\n<p class=\"x_MsoNormal\"><span lang=\"EN-US\">The transition to cleaner energy sources requires major advancements in solid-state materials for energy storage and conversion. Rechargeable lithium-ion batteries (LIBs) remain among the most promising candidates for future applications, particularly in electric mobility, due to their high energy density, stability, and low weight [1]. However, further improvements in electrode and electrolyte materials are essential for next-generation LIBs. In this <span class=\"mark0y6ke9uv5\" data-markjs=\"true\" data-ogac=\"\" data-ogab=\"\" data-ogsc=\"\" data-ogsb=\"\">seminar<\/span>, I will present our research on lithium manganese phosphate (LiMnPO4), a cathode material that combines high voltage, environmental friendliness, and low cost but suffers from poor electronic and ionic conductivity. Using density functional theory (DFT) calculations, we investigated several strategies to overcome these limitations, including Ni\/Fe single-doping, Ni\u2013Fe co-doping, and biaxial strain engineering. The results reveal that Ni and Fe substitutions not only reduce the band gap and improve electronic conductivity but also lower Li-ion diffusion barriers, enhancing kinetic performance. Ni\u2013Fe co-doping further improves structural stability, conductivity, and Li reversibility during insertion\/extraction processes. Additionally, applying biaxial tensile strain significantly boosts the diffusion coefficient and reduces the band gap, leading to remarkable improvements in rate performance. These findings provide valuable insights into the design of improved phosphate-based cathode materials for LIBs.<\/span><\/p>\n<p><span data-olk-copy-source=\"MessageBody\">[1] Kim et al, ACS applied materials &amp; interfaces 12.14 (2020): 16376-16386.<\/span><\/p>\n<\/div>\n<p class=\"x_MsoNormal\"><span lang=\"EN-US\" data-olk-copy-source=\"MessageBody\"><span style=\"text-decoration: underline;\"><strong>Biography:<\/strong><\/span> <\/span><\/p>\n<p class=\"x_MsoNormal\"><span data-olk-copy-source=\"MessageBody\">Said Oukahou is a postdoctoral researcher at the Italian National Research Council (CNR), Institute of Nanoscience in Modena. He earned his PhD in Materials Physics and Energy from Sultan Moulay Slimane University, Morocco. His research focuses on computational materials science, with expertise in first-principles simulations of two- and three-dimensional materials for batteries, hydrogen storage, and optoelectronic applications. He is particularly interested in designing and investigating advanced cathode and anode materials for energy storage.<\/span><\/p>\n<p class=\"x_MsoNormal\"><span style=\"text-decoration: underline;\"><b><span lang=\"EN-US\">Localization<\/span><\/b><\/span><span lang=\"EN-US\"><span style=\"text-decoration: underline;\">:<\/span> Ryad 5, 1st Floor.<\/span><\/p>\n<p class=\"x_xmsonormal\"><span style=\"text-decoration: underline;\"><b><span lang=\"EN-US\">Teams Link<\/span><\/b><\/span><span lang=\"EN-US\"><span style=\"text-decoration: underline;\">:<\/span> <span style=\"color: #3366ff;\"><a style=\"color: #3366ff;\" href=\"https:\/\/eur03.safelinks.protection.outlook.com\/ap\/t-59584e83\/?url=https%3A%2F%2Fteams.microsoft.com%2Fl%2Fmeetup-join%2F19%253ameeting_NjkxYTFkOTEtMTA2NC00YjE2LWJkYzktMmI2NWE0ZDRmOTRh%2540thread.v2%2F0%3Fcontext%3D%257b%2522Tid%2522%253a%252239626157-a047-4689-87a2-6fa645cb5cb7%2522%252c%2522Oid%2522%253a%2522d3bbb26e-fd14-45df-84fa-adbf01366dcc%2522%257d&amp;data=05%7C02%7Cismail.benabdallah%40um6p.ma%7C581224961e69447e016008dd92f0d361%7C39626157a047468987a26fa645cb5cb7%7C1%7C0%7C638828285222039956%7CUnknown%7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ%3D%3D%7C0%7C%7C%7C&amp;sdata=6rnEk4TkZFqnGPy%2BwtBDmqu4xvI4BRvMVUmatSV4YoM%3D&amp;reserved=0\"><span style=\"text-decoration: underline;\">School of Physics\u00a0Seminar<\/span><\/a><\/span><br \/>\n<\/span><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Enhancing the Electrochemical Performance of LiMnPO\u2084 as a Cathode Material for Li-ion Batteries through Doping and Strain: Insights from DFT Calculations Dr. Said Oukahou, Postdoctoral researcher at the Italian National Research Council (CNR) The School of Applied and Engineering Physics Seminar Series will occur on Thursday, September 18th\u00a0at 3:30 PM, at the UM6P Ben Guerir [&hellip;]<\/p>\n","protected":false},"author":3,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"cybocfi_hide_featured_image":"","footnotes":""},"categories":[1],"tags":[],"class_list":["post-7519","post","type-post","status-publish","format-standard","hentry","category-uncategorized"],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=\/wp\/v2\/posts\/7519","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=\/wp\/v2\/users\/3"}],"replies":[{"embeddable":true,"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=7519"}],"version-history":[{"count":2,"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=\/wp\/v2\/posts\/7519\/revisions"}],"predecessor-version":[{"id":7521,"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=\/wp\/v2\/posts\/7519\/revisions\/7521"}],"wp:attachment":[{"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=7519"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=7519"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/physicsschool.um6p.ma\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=7519"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}