{"id":51905,"date":"2026-03-16T13:31:04","date_gmt":"2026-03-16T12:31:04","guid":{"rendered":"https:\/\/www.ub.edu\/in2ub\/?p=51905"},"modified":"2026-03-16T13:33:27","modified_gmt":"2026-03-16T12:33:27","slug":"adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study","status":"publish","type":"post","link":"https:\/\/www.ub.edu\/in2ub\/es\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/","title":{"rendered":"Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study"},"content":{"rendered":"<p>The increasing presence of polluting chemicals in man-made wastewater poses significant environmental and health risks. Advanced oxidation processes, particularly those involving photocatalytic materials like titanium dioxide (TiO<small><sub>2<\/sub><\/small>), offer a promising solution for degrading these pollutants. This study, in which Prof. G. Franzese (<a href=\"https:\/\/www.ub.edu\/in2ub\/grup-de-recerca\/statistical-physics-of-bio-nano-systems-and-complex-matter\/\" target=\"_blank\" rel=\"noopener\">Statistical Physics of Bio-Nano Complex Matter<\/a>) participated, employs force field molecular dynamics simulations to investigate the interactions between pollutants, the TiO<small><sub>2<\/sub><\/small> surface, water and ions, aiming to elucidate their role in the adsorption process. The results revealed in this work, provide insights into the adsorption features triggering the initial pollutant degradation on amorphous TiO<small><sub>2<\/sub><\/small>, which could enhance the design of more efficient wastewater treatment technologies.<\/p>\n<p><a href=\"https:\/\/doi.org\/10.1039\/D5MA01085C\" target=\"_blank\" rel=\"noopener\">Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study.<\/a> <em>von Einem M.; Balzaretti F.; Romero M.; Dononelli W.; Colombi Ciacchi L.; Franzese G.; K\u00f6ppen-Hannemann S. <i><strong>Mater. Adv.<\/strong><\/i>, 2026,<strong>7<\/strong>, 2017-2038.<\/em><\/p>\n<p><em><strong>Work featured on the <a href=\"https:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2026\/ma\/d6ma90017h\" target=\"_blank\" rel=\"noopener\">cover front<\/a><\/strong><\/em><\/p>\n","protected":false},"excerpt":{"rendered":"<p>The increasing presence of polluting chemicals in man-made wastewater poses significant environmental and health risks. Advanced oxidation processes, particularly those involving photocatalytic materials like titanium dioxide (TiO2), offer a promising solution for degrading these pollutants. This study, in which Prof. G. Franzese (Statistical Physics of Bio-Nano Complex Matter) participated, employs force field molecular dynamics simulations&#8230;<\/p>\n","protected":false},"author":2,"featured_media":51906,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v23.5 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study - IN\u00b2UB<\/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:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/\" \/>\n<meta property=\"og:locale\" content=\"es_ES\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study - IN\u00b2UB\" \/>\n<meta property=\"og:description\" content=\"The increasing presence of polluting chemicals in man-made wastewater poses significant environmental and health risks. Advanced oxidation processes, particularly those involving photocatalytic materials like titanium dioxide (TiO2), offer a promising solution for degrading these pollutants. This study, in which Prof. G. Franzese (Statistical Physics of Bio-Nano Complex Matter) participated, employs force field molecular dynamics simulations...\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/\" \/>\n<meta property=\"og:site_name\" content=\"IN\u00b2UB\" \/>\n<meta property=\"article:published_time\" content=\"2026-03-16T12:31:04+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2026-03-16T12:33:27+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2026\/03\/d6ma90017h_cover-scaled.jpg\" \/>\n\t<meta property=\"og:image:width\" content=\"1955\" \/>\n\t<meta property=\"og:image:height\" content=\"2560\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/jpeg\" \/>\n<meta name=\"author\" content=\"IN2UB\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Escrito por\" \/>\n\t<meta name=\"twitter:data1\" content=\"IN2UB\" \/>\n\t<meta name=\"twitter:label2\" content=\"Tiempo de lectura\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minuto\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/\",\"url\":\"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/\",\"name\":\"Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study - IN\u00b2UB\",\"isPartOf\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#website\"},\"primaryImageOfPage\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#primaryimage\"},\"image\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#primaryimage\"},\"thumbnailUrl\":\"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2026\/03\/d6ma90017h_cover-scaled.jpg\",\"datePublished\":\"2026-03-16T12:31:04+00:00\",\"dateModified\":\"2026-03-16T12:33:27+00:00\",\"author\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/fee647be08dbdfdd1486fbe8067be972\"},\"breadcrumb\":{\"@id\":\"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#breadcrumb\"},\"inLanguage\":\"es\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/\"]}]},{\"@type\":\"ImageObject\",\"inLanguage\":\"es\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#primaryimage\",\"url\":\"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2026\/03\/d6ma90017h_cover-scaled.jpg\",\"contentUrl\":\"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2026\/03\/d6ma90017h_cover-scaled.jpg\",\"width\":1955,\"height\":2560},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"Inici\",\"item\":\"https:\/\/www.ub.edu\/in2ub\/es\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#website\",\"url\":\"https:\/\/www.ub.edu\/in2ub\/\",\"name\":\"IN\u00b2UB\",\"description\":\"Institut de Nanoci\u00e8ncia i Nanotecnologia - Universitat de Barcelona\",\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\/\/www.ub.edu\/in2ub\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"es\"},{\"@type\":\"Person\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/fee647be08dbdfdd1486fbe8067be972\",\"name\":\"IN2UB\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"es\",\"@id\":\"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/image\/\",\"url\":\"https:\/\/secure.gravatar.com\/avatar\/15350879e1365c6016231f421f771d35?s=96&d=mm&r=g\",\"contentUrl\":\"https:\/\/secure.gravatar.com\/avatar\/15350879e1365c6016231f421f771d35?s=96&d=mm&r=g\",\"caption\":\"IN2UB\"},\"url\":\"https:\/\/www.ub.edu\/in2ub\/es\/author\/in2ub_doc\/\"}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study - IN\u00b2UB","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:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/","og_locale":"es_ES","og_type":"article","og_title":"Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study - IN\u00b2UB","og_description":"The increasing presence of polluting chemicals in man-made wastewater poses significant environmental and health risks. Advanced oxidation processes, particularly those involving photocatalytic materials like titanium dioxide (TiO2), offer a promising solution for degrading these pollutants. This study, in which Prof. G. Franzese (Statistical Physics of Bio-Nano Complex Matter) participated, employs force field molecular dynamics simulations...","og_url":"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/","og_site_name":"IN\u00b2UB","article_published_time":"2026-03-16T12:31:04+00:00","article_modified_time":"2026-03-16T12:33:27+00:00","og_image":[{"width":1955,"height":2560,"url":"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2026\/03\/d6ma90017h_cover-scaled.jpg","type":"image\/jpeg"}],"author":"IN2UB","twitter_card":"summary_large_image","twitter_misc":{"Escrito por":"IN2UB","Tiempo de lectura":"1 minuto"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/","url":"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/","name":"Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study - IN\u00b2UB","isPartOf":{"@id":"https:\/\/www.ub.edu\/in2ub\/#website"},"primaryImageOfPage":{"@id":"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#primaryimage"},"image":{"@id":"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#primaryimage"},"thumbnailUrl":"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2026\/03\/d6ma90017h_cover-scaled.jpg","datePublished":"2026-03-16T12:31:04+00:00","dateModified":"2026-03-16T12:33:27+00:00","author":{"@id":"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/fee647be08dbdfdd1486fbe8067be972"},"breadcrumb":{"@id":"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#breadcrumb"},"inLanguage":"es","potentialAction":[{"@type":"ReadAction","target":["https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/"]}]},{"@type":"ImageObject","inLanguage":"es","@id":"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#primaryimage","url":"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2026\/03\/d6ma90017h_cover-scaled.jpg","contentUrl":"https:\/\/www.ub.edu\/in2ub\/wp-content\/uploads\/2026\/03\/d6ma90017h_cover-scaled.jpg","width":1955,"height":2560},{"@type":"BreadcrumbList","@id":"https:\/\/www.ub.edu\/in2ub\/adsorption-of-wastewater-pollutants-on-amorphous-tio2-an-atomistic-simulation-study\/#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"Inici","item":"https:\/\/www.ub.edu\/in2ub\/es\/"},{"@type":"ListItem","position":2,"name":"Adsorption of wastewater pollutants on amorphous TiO2: an atomistic simulation study"}]},{"@type":"WebSite","@id":"https:\/\/www.ub.edu\/in2ub\/#website","url":"https:\/\/www.ub.edu\/in2ub\/","name":"IN\u00b2UB","description":"Institut de Nanoci\u00e8ncia i Nanotecnologia - Universitat de Barcelona","potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/www.ub.edu\/in2ub\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"es"},{"@type":"Person","@id":"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/fee647be08dbdfdd1486fbe8067be972","name":"IN2UB","image":{"@type":"ImageObject","inLanguage":"es","@id":"https:\/\/www.ub.edu\/in2ub\/#\/schema\/person\/image\/","url":"https:\/\/secure.gravatar.com\/avatar\/15350879e1365c6016231f421f771d35?s=96&d=mm&r=g","contentUrl":"https:\/\/secure.gravatar.com\/avatar\/15350879e1365c6016231f421f771d35?s=96&d=mm&r=g","caption":"IN2UB"},"url":"https:\/\/www.ub.edu\/in2ub\/es\/author\/in2ub_doc\/"}]}},"_links":{"self":[{"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/posts\/51905"}],"collection":[{"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/comments?post=51905"}],"version-history":[{"count":2,"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/posts\/51905\/revisions"}],"predecessor-version":[{"id":51910,"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/posts\/51905\/revisions\/51910"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/media\/51906"}],"wp:attachment":[{"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/media?parent=51905"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/categories?post=51905"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ub.edu\/in2ub\/es\/wp-json\/wp\/v2\/tags?post=51905"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}