{"id":590,"date":"2026-09-30T09:26:53","date_gmt":"2026-09-30T07:26:53","guid":{"rendered":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/?p=590"},"modified":"2026-09-30T09:26:53","modified_gmt":"2026-09-30T07:26:53","slug":"cation-effects-in-alkaline-her","status":"publish","type":"post","link":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/2026\/09\/cation-effects-in-alkaline-her\/","title":{"rendered":"Cation effects in alkaline HER"},"content":{"rendered":"<p>Thanks to the hard work of Sumit Bawari and the collaboration within ANR Hykalin, we have identified the barrier of water dissociation as a critical, cation-dependent step during the alkaline hydrogen evolution reaction. This is one of the first applications of our electrostatic embedding QM\/MM exploiting VASP and CP2K, as developed during the ANR TERS_NORMAL through the thesis of Mingjun Gu. Check out our publication in <a href=\"http:\/\/doi.org\/10.1021\/acselectrochem.6c00195\">ACS Electrochemistry<\/a>. My first publication in this journal!<\/p>","protected":false},"excerpt":{"rendered":"<p>Thanks to the hard work of Sumit Bawari and the collaboration within ANR Hykalin, we have identified the barrier of water dissociation as a critical, cation-dependent step during the alkaline hydrogen evolution reaction. This is one of the first applications of our electrostatic embedding QM\/MM exploiting VASP and CP2K, as developed during the ANR TERS_NORMAL [&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-590","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\/590","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=590"}],"version-history":[{"count":1,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/590\/revisions"}],"predecessor-version":[{"id":591,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/posts\/590\/revisions\/591"}],"wp:attachment":[{"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/media?parent=590"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/categories?post=590"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/perso.ens-lyon.fr\/stephan.steinmann\/wp-json\/wp\/v2\/tags?post=590"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}