{"id":362,"date":"2022-10-18T12:04:14","date_gmt":"2022-10-18T12:04:14","guid":{"rendered":"http:\/\/www.msca-dn-ecomates.eu\/?page_id=362"},"modified":"2022-12-07T22:04:22","modified_gmt":"2022-12-07T22:04:22","slug":"wp2","status":"publish","type":"page","link":"https:\/\/www.msca-dn-ecomates.eu\/?page_id=362","title":{"rendered":"WP2: CO2RR catalyst aided design via simulations and operando measurements"},"content":{"rendered":"<h5>WP2: CO<sub>2<\/sub>RR catalyst aided design via simulations and operando measurements<\/h5>\n<p style=\"text-align: justify;\"><strong>Objectives<\/strong>: The aim of this WP is to predict and tailor the electrocatalytic properties of bimetallic Cu\/M compounds towards efficient and selective CO<sub>2<\/sub>RR by means of ab initio DFT calculations combined with machine learning algorithms and to suggest promising catalyst materials to <a href=\"https:\/\/www.msca-dn-ecomates.eu\/wp1\/\">WP1<\/a>. Detailed studies on the thermodynamics and kinetics of the electrocatalytic competing reactions occurring during CO<sub>2<\/sub>RR will be carried out. The theoretical work will integrate the in operando experiments carried out at ESRF and the functional characterization performed in <a href=\"https:\/\/www.msca-dn-ecomates.eu\/wp1\/\">WP1<\/a> and <a href=\"https:\/\/www.msca-dn-ecomates.eu\/wp3\/\">WP3<\/a>. The feed-back between experimental and theoretical results will lead to a rational design of materials and processes with optimal performance.<\/p>\n<p style=\"text-align: justify;\"><strong>Involved DCs:<\/strong> DC4, DC5, DC6, DC7<\/p>\n","protected":false},"excerpt":{"rendered":"<p>WP2: CO2RR catalyst aided design via simulations and operando measurements Objectives: The aim of this WP is to predict and tailor the electrocatalytic properties of bimetallic Cu\/M compounds towards efficient [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-362","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/www.msca-dn-ecomates.eu\/index.php?rest_route=\/wp\/v2\/pages\/362","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.msca-dn-ecomates.eu\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.msca-dn-ecomates.eu\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.msca-dn-ecomates.eu\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.msca-dn-ecomates.eu\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=362"}],"version-history":[{"count":7,"href":"https:\/\/www.msca-dn-ecomates.eu\/index.php?rest_route=\/wp\/v2\/pages\/362\/revisions"}],"predecessor-version":[{"id":920,"href":"https:\/\/www.msca-dn-ecomates.eu\/index.php?rest_route=\/wp\/v2\/pages\/362\/revisions\/920"}],"wp:attachment":[{"href":"https:\/\/www.msca-dn-ecomates.eu\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=362"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}