{"id":2214,"date":"2024-04-10T13:30:30","date_gmt":"2024-04-10T11:30:30","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2214"},"modified":"2025-07-23T14:58:08","modified_gmt":"2025-07-23T12:58:08","slug":"proyecto-origin-of-the-selectivity-on-the-conversion-of-co2-on-ceria-supported-ni-catalyst-from-multiscale-simulations","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyecto-origin-of-the-selectivity-on-the-conversion-of-co2-on-ceria-supported-ni-catalyst-from-multiscale-simulations\/","title":{"rendered":"Origin of the selectivity on the conversion of CO2 on ceria supported Ni catalyst from multiscale simulations"},"content":{"rendered":"<div class=\"field field-name-field-proy-investigadores field-type-text-long field-label-above\">\n<div class=\"field-label\" style=\"text-align: justify;\"><strong>Researchers:\u00a0<\/strong><\/div>\n<div class=\"field-items\" style=\"text-align: justify;\">\n<div class=\"field-item even\">\n<ul>\n<li>Francesc Illas Riera. Universidad\u00a0de Barcelona (<a href=\"https:\/\/www.ub.edu\/\" target=\"_blank\" rel=\"noopener\">UB<\/a>).<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-descripcion field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Description:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<p>Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (<a href=\"https:\/\/www.res.es\/\" target=\"_blank\" rel=\"noopener\">RES<\/a>).<\/p>\n<p>Conversion of atmospheric CO2 is a need to prevent further global warming and also constitutes an opportunity as it can be used as a C1 feedstock for the synthesis of fuels and other commodities. However, the high stability of this molecule requires high active catalysts, often transition metals, leading to a mixture of products. Here, the selectivity of Ni on a ceria support towards CO2 conversion will be studied by multiscale modelling simulations and compared to that of previous studies for extended Ni surfaces and Ni nanoparticles supported on TiC. This will provide useful information for the development of more efficient and selective catalyst.<\/p>\n<\/div>\n<\/div>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>Investigadores:\u00a0 Francesc Illas Riera. Universidad\u00a0de Barcelona (UB). Descripci\u00f3n:\u00a0 Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (RES). Conversion of atmospheric CO2 is a need to prevent further global &#8230;<\/p>","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2214","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>Origin of the selectivity on the conversion of CO2 on ceria supported Ni catalyst from multiscale simulations - 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\/proyecto-origin-of-the-selectivity-on-the-conversion-of-co2-on-ceria-supported-ni-catalyst-from-multiscale-simulations\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Origin of the selectivity on the conversion of CO2 on ceria supported Ni catalyst from multiscale simulations - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 Francesc Illas Riera. Universidad\u00a0de Barcelona (UB). Descripci\u00f3n:\u00a0 Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (RES). 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