{"id":2105,"date":"2024-04-10T12:39:47","date_gmt":"2024-04-10T10:39:47","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2105"},"modified":"2025-08-29T11:56:41","modified_gmt":"2025-08-29T09:56:41","slug":"proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/","title":{"rendered":"Corrosion inhibition from first principles: the role of the oxide"},"content":{"rendered":"<p style=\"text-align: justify;\"><strong>Researchers:<\/strong><\/p>\n<ul style=\"text-align: justify;\">\n<li>Investigador principal:\u00a0Javier Carrasco Rodr\u00edguez.<\/li>\n<li>Investigador:\u00a0Andrey Golov.<\/li>\n<\/ul>\n<p style=\"text-align: justify;\"><strong>Description:\u00a0<\/strong><\/p>\n<p style=\"text-align: justify;\">One of the main challenges in the development of all-solid-state batteries is the search for suitable solid electrolytes (SEs) that simultaneously exhibit high ionic conductivity, chemical stability, and compatibility with the electrode materials. The Li2ZrCl6 (LZC) SE is a promising candidate due to its high lithium-ion conductivity and excellent (electro)chemical stability.<br \/>\nNevertheless, the practical application of LZC requires improvement of the bulk and interfacial ionic conductivity of the SE. For this purpose, we will calculate reactivity and ionic conductivity using ab initio molecular dynamics simulations of interface models.<br \/>\nBased on the result of these simulations we will propose strategies for the optimization of bulk and interfacial properties of the LZC SE by tuning the electrolyte composition.<\/p>","protected":false},"excerpt":{"rendered":"<p>Investigadores: Investigador principal:\u00a0Javier Carrasco Rodr\u00edguez. Investigador:\u00a0Andrey Golov. Descripci\u00f3n:\u00a0 One of the main challenges in the development of all-solid-state batteries is the search for suitable solid electrolytes (SEs) that simultaneously exhibit &#8230;<\/p>","protected":false},"author":1,"featured_media":0,"parent":9950,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2105","page","type-page","status-publish","hentry","category-ciencias-de-la-vida","category-proyectos"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.1.1 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Corrosion inhibition from first principles: the role of the oxide - Fundaci\u00f3n COMPUTAEX<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/computaex.es\/en\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Corrosion inhibition from first principles: the role of the oxide - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores: Investigador principal:\u00a0Javier Carrasco Rodr\u00edguez. Investigador:\u00a0Andrey Golov. Descripci\u00f3n:\u00a0 One of the main challenges in the development of all-solid-state batteries is the search for suitable solid electrolytes (SEs) that simultaneously exhibit ...\" \/>\n<meta property=\"og:url\" content=\"https:\/\/computaex.es\/en\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/\" \/>\n<meta property=\"og:site_name\" content=\"Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"article:publisher\" content=\"https:\/\/m.facebook.com\/computaex\/\" \/>\n<meta property=\"article:modified_time\" content=\"2025-08-29T09:56:41+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/computaex.es\/wp-content\/uploads\/2025\/08\/COMPUTAEX.jpg\" \/>\n\t<meta property=\"og:image:width\" content=\"1024\" \/>\n\t<meta property=\"og:image:height\" content=\"403\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/jpeg\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:site\" content=\"@computaex\" \/>\n<meta name=\"twitter:label1\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data1\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/\",\"url\":\"https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/\",\"name\":\"Corrosion inhibition from first principles: the role of the oxide - Fundaci\u00f3n COMPUTAEX\",\"isPartOf\":{\"@id\":\"https:\/\/computaex.es\/#website\"},\"datePublished\":\"2024-04-10T10:39:47+00:00\",\"dateModified\":\"2025-08-29T09:56:41+00:00\",\"breadcrumb\":{\"@id\":\"https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/#breadcrumb\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"Portada\",\"item\":\"https:\/\/computaex.es\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Proyectos\",\"item\":\"https:\/\/computaex.es\/proyectos\/\"},{\"@type\":\"ListItem\",\"position\":3,\"name\":\"Corrosion inhibition from first principles: the role of the oxide\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\/\/computaex.es\/#website\",\"url\":\"https:\/\/computaex.es\/\",\"name\":\"Fundaci\u00f3n COMPUTAEX\",\"description\":\"COMPUTAEX\",\"publisher\":{\"@id\":\"https:\/\/computaex.es\/#organization\"},\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\/\/computaex.es\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"en-US\"},{\"@type\":\"Organization\",\"@id\":\"https:\/\/computaex.es\/#organization\",\"name\":\"COMPUTAEX\",\"url\":\"https:\/\/computaex.es\/\",\"logo\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\/\/computaex.es\/#\/schema\/logo\/image\/\",\"url\":\"https:\/\/computaex.es\/wp-content\/uploads\/2025\/05\/cropped-COMPUTAEX_transparente-scaled-1.png\",\"contentUrl\":\"https:\/\/computaex.es\/wp-content\/uploads\/2025\/05\/cropped-COMPUTAEX_transparente-scaled-1.png\",\"width\":2560,\"height\":970,\"caption\":\"COMPUTAEX\"},\"image\":{\"@id\":\"https:\/\/computaex.es\/#\/schema\/logo\/image\/\"},\"sameAs\":[\"https:\/\/m.facebook.com\/computaex\/\",\"https:\/\/x.com\/computaex\",\"https:\/\/es.linkedin.com\/company\/cenits\"]}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Corrosion inhibition from first principles: the role of the oxide - Fundaci\u00f3n COMPUTAEX","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/computaex.es\/en\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/","og_locale":"en_US","og_type":"article","og_title":"Corrosion inhibition from first principles: the role of the oxide - Fundaci\u00f3n COMPUTAEX","og_description":"Investigadores: Investigador principal:\u00a0Javier Carrasco Rodr\u00edguez. Investigador:\u00a0Andrey Golov. Descripci\u00f3n:\u00a0 One of the main challenges in the development of all-solid-state batteries is the search for suitable solid electrolytes (SEs) that simultaneously exhibit ...","og_url":"https:\/\/computaex.es\/en\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/","og_site_name":"Fundaci\u00f3n COMPUTAEX","article_publisher":"https:\/\/m.facebook.com\/computaex\/","article_modified_time":"2025-08-29T09:56:41+00:00","og_image":[{"width":1024,"height":403,"url":"https:\/\/computaex.es\/wp-content\/uploads\/2025\/08\/COMPUTAEX.jpg","type":"image\/jpeg"}],"twitter_card":"summary_large_image","twitter_site":"@computaex","twitter_misc":{"Est. reading time":"1 minute"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/","url":"https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/","name":"Corrosion inhibition from first principles: the role of the oxide - Fundaci\u00f3n COMPUTAEX","isPartOf":{"@id":"https:\/\/computaex.es\/#website"},"datePublished":"2024-04-10T10:39:47+00:00","dateModified":"2025-08-29T09:56:41+00:00","breadcrumb":{"@id":"https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/"]}]},{"@type":"BreadcrumbList","@id":"https:\/\/computaex.es\/proyectos\/proyecto-corrosion-inhibition-from-first-principles-the-role-of-the-oxide\/#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Portada","item":"https:\/\/computaex.es\/"},{"@type":"ListItem","position":2,"name":"Proyectos","item":"https:\/\/computaex.es\/proyectos\/"},{"@type":"ListItem","position":3,"name":"Corrosion inhibition from first principles: the role of the oxide"}]},{"@type":"WebSite","@id":"https:\/\/computaex.es\/#website","url":"https:\/\/computaex.es\/","name":"COMPUTAEX Foundation","description":"COMPUTAEX","publisher":{"@id":"https:\/\/computaex.es\/#organization"},"potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/computaex.es\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"en-US"},{"@type":"Organization","@id":"https:\/\/computaex.es\/#organization","name":"COMPUTAEX","url":"https:\/\/computaex.es\/","logo":{"@type":"ImageObject","inLanguage":"en-US","@id":"https:\/\/computaex.es\/#\/schema\/logo\/image\/","url":"https:\/\/computaex.es\/wp-content\/uploads\/2025\/05\/cropped-COMPUTAEX_transparente-scaled-1.png","contentUrl":"https:\/\/computaex.es\/wp-content\/uploads\/2025\/05\/cropped-COMPUTAEX_transparente-scaled-1.png","width":2560,"height":970,"caption":"COMPUTAEX"},"image":{"@id":"https:\/\/computaex.es\/#\/schema\/logo\/image\/"},"sameAs":["https:\/\/m.facebook.com\/computaex\/","https:\/\/x.com\/computaex","https:\/\/es.linkedin.com\/company\/cenits"]}]}},"_links":{"self":[{"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages\/2105","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/comments?post=2105"}],"version-history":[{"count":8,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages\/2105\/revisions"}],"predecessor-version":[{"id":8357,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages\/2105\/revisions\/8357"}],"up":[{"embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/pages\/9950"}],"wp:attachment":[{"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/media?parent=2105"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/categories?post=2105"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/computaex.es\/en\/wp-json\/wp\/v2\/tags?post=2105"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}