{"id":308,"date":"2020-01-15T10:43:47","date_gmt":"2020-01-15T09:43:47","guid":{"rendered":"http:\/\/perso.ens-lyon.fr\/stephan.steinmann\/?p=308"},"modified":"2020-02-26T16:17:57","modified_gmt":"2020-02-26T15:17:57","slug":"parameter-free-coordination-numbers","status":"publish","type":"post","link":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/2020\/01\/parameter-free-coordination-numbers\/","title":{"rendered":"Parameter-Free Coordination Numbers"},"content":{"rendered":"<p>After a lot of hard work, the second article of Ruben has been published in the <a href=\"https:\/\/aip.scitation.org\/doi\/full\/10.1063\/1.5135696\">Journal of Chemical Physics<\/a>. The scheme, called ASANN, provides robust coordination numbers for solid-liquid interfaces and metal (alloy) nano-particles and surfaces.<\/p>\n<p>The picture below reports the cation distribution and coordination at a graphite electrode of about -2.5 V vs. SHE. ASANN resolves that Cs<sup>+<\/sup> is partially desolvated at the interface, while Na<sup>+<\/sup> is not.<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-309 size-large\" src=\"http:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2020\/01\/ion_density_final-1024x523.png\" alt=\"\" width=\"678\" height=\"346\" srcset=\"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2020\/01\/ion_density_final-1024x523.png 1024w, https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2020\/01\/ion_density_final-300x153.png 300w, https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2020\/01\/ion_density_final-768x392.png 768w, https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2020\/01\/ion_density_final.png 1068w\" sizes=\"auto, (max-width: 678px) 100vw, 678px\" \/><\/p>\n<p><a href=\"http:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-content\/uploads\/2020\/01\/ASANN.zip\">Download the ASANN Python package<\/a><\/p>","protected":false},"excerpt":{"rendered":"<p>After a lot of hard work, the second article of Ruben has been published in the Journal of Chemical Physics. The scheme, called ASANN, provides robust coordination numbers for solid-liquid interfaces and metal (alloy) nano-particles and surfaces. The picture below reports the cation distribution and coordination at a graphite electrode of about -2.5 V vs. [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_lmt_disableupdate":"","_lmt_disable":"","footnotes":""},"categories":[4],"tags":[],"class_list":["post-308","post","type-post","status-publish","format-standard","hentry","category-publications"],"modified_by":"Stephan Steinmann","_links":{"self":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/308","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/comments?post=308"}],"version-history":[{"count":2,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/308\/revisions"}],"predecessor-version":[{"id":315,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/308\/revisions\/315"}],"wp:attachment":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/media?parent=308"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/categories?post=308"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/tags?post=308"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}