{"id":1247,"date":"2020-01-21T17:14:49","date_gmt":"2020-01-21T16:14:49","guid":{"rendered":"https:\/\/site.uit.no\/nordco2\/?p=1247"},"modified":"2024-10-11T12:25:58","modified_gmt":"2024-10-11T10:25:58","slug":"new-collaboration-article-between-the-nova-and-skulason-groups","status":"publish","type":"post","link":"https:\/\/site.uit.no\/nordco2\/2020\/01\/21\/new-collaboration-article-between-the-nova-and-skulason-groups\/","title":{"rendered":"New collaboration article between the Nova and Sk\u00falason groups"},"content":{"rendered":"<p><strong>Abstract<\/strong><br \/>\nMetal\u2013organic frameworks (MOFs) show great prospect as catalysts and catalyst support materials. Yet, studies that address their dynamic, kinetic, and mechanistic role in target reactions are scarce. In this study, an exceptionally stable MOF catalyst consisting of Pt nanoparticles (NPs) embedded in a Zr-based UiO-67 MOF was subject to steady-state and transient kinetic studies involving H\/D and\u00a0<sup>13<\/sup>C\/<sup>12<\/sup>C exchange, coupled with operando infrared spectroscopy and density functional theory (DFT) modeling, targeting methanol formation from CO<sub>2<\/sub>\/H<sub>2<\/sub>\u00a0feeds at 170 \u00b0C and 1\u20138 bar pressure. The study revealed that methanol is formed at the interface between the Pt NPs and defect Zr nodes via formate species attached to the Zr nodes. Methanol formation is mechanistically separated from the formation of coproducts CO and methane, except for hydrogen activation on the Pt NPs. Careful analysis of transient data revealed that the number of intermediates was higher than the number of open Zr sites in the MOF lattice around each Pt NP. Hence, additional Zr sites must be available for formate formation. DFT modeling revealed that Pt NP growth is sufficiently energetically favored to enable displacement of linkers and creation of open Zr sites during pretreatment. However, linker displacement during formate formation is energetically disfavored, in line with the excellent catalyst stability observed experimentally. Overall, the study provides firm evidence that methanol is formed at the interface of Pt NPs and linker-deficient Zr<sub>6<\/sub>O<sub>8<\/sub>\u00a0nodes resting on the Pt NP surface.<\/p>\n<p><img fetchpriority=\"high\" decoding=\"async\" class=\"size-full wp-image-1248 aligncenter\" src=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/ja9b10873_0008.gif\" alt=\"\" width=\"500\" height=\"363\" \/><\/p>\n<p style=\"text-align: center\"><strong>Read at:<\/strong><a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/jacs.9b10873\"><img decoding=\"async\" class=\"size-full wp-image-1236 aligncenter\" src=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/acs_journal_logo.png\" alt=\"\" width=\"481\" height=\"82\" srcset=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/acs_journal_logo.png 481w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/acs_journal_logo-300x51.png 300w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/acs_journal_logo-480x82.png 480w\" sizes=\"(max-width: 481px) 100vw, 481px\" \/><\/a><\/p>\n<p>For a list of publications by the members of NordCO<sub>2<\/sub>, see our <a href=\"https:\/\/site.uit.no\/nordco2\/publications\/\">Publications<\/a> page!<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Abstract Metal\u2013organic frameworks (MOFs) show great prospect as catalysts and catalyst support materials. Yet, studies that address their dynamic, kinetic, and mechanistic role in target &hellip;<\/p>\n","protected":false},"author":514,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"ngg_post_thumbnail":0,"footnotes":""},"categories":[8],"tags":[],"class_list":["post-1247","post","type-post","status-publish","format-standard","hentry","category-research"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.8 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>New collaboration article between the Nova and Sk\u00falason groups - Nordic Consortium for CO2 Conversion<\/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:\/\/site.uit.no\/nordco2\/2020\/01\/21\/new-collaboration-article-between-the-nova-and-skulason-groups\/\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"New collaboration article between the Nova and Sk\u00falason groups - Nordic Consortium for CO2 Conversion\" \/>\n<meta property=\"og:description\" content=\"Abstract Metal\u2013organic frameworks (MOFs) show great prospect as catalysts and catalyst support materials. Yet, studies that address their dynamic, kinetic, and mechanistic role in target &hellip;\" \/>\n<meta property=\"og:url\" content=\"https:\/\/site.uit.no\/nordco2\/2020\/01\/21\/new-collaboration-article-between-the-nova-and-skulason-groups\/\" \/>\n<meta property=\"og:site_name\" content=\"Nordic Consortium for CO2 Conversion\" \/>\n<meta property=\"article:published_time\" content=\"2020-01-21T16:14:49+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2024-10-11T10:25:58+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/ja9b10873_0008.gif\" \/>\n<meta name=\"author\" content=\"joehh\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"joehh\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\\\/\\\/schema.org\",\"@graph\":[{\"@type\":\"Article\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/21\\\/new-collaboration-article-between-the-nova-and-skulason-groups\\\/#article\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/21\\\/new-collaboration-article-between-the-nova-and-skulason-groups\\\/\"},\"author\":{\"name\":\"joehh\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#\\\/schema\\\/person\\\/993cf3b27a956c23c8da21d29fe6bd7c\"},\"headline\":\"New collaboration article between the Nova and Sk\u00falason groups\",\"datePublished\":\"2020-01-21T16:14:49+00:00\",\"dateModified\":\"2024-10-11T10:25:58+00:00\",\"mainEntityOfPage\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/21\\\/new-collaboration-article-between-the-nova-and-skulason-groups\\\/\"},\"wordCount\":266,\"publisher\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#organization\"},\"image\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/21\\\/new-collaboration-article-between-the-nova-and-skulason-groups\\\/#primaryimage\"},\"thumbnailUrl\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/wp-content\\\/uploads\\\/sites\\\/344\\\/2020\\\/04\\\/ja9b10873_0008.gif\",\"articleSection\":[\"Research\"],\"inLanguage\":\"en-GB\"},{\"@type\":\"WebPage\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/21\\\/new-collaboration-article-between-the-nova-and-skulason-groups\\\/\",\"url\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/21\\\/new-collaboration-article-between-the-nova-and-skulason-groups\\\/\",\"name\":\"New collaboration article between the Nova and Sk\u00falason groups - 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