{"id":4010,"date":"2018-07-08T17:58:47","date_gmt":"2018-07-08T14:58:47","guid":{"rendered":"https:\/\/www.elch.chem.msu.ru\/wp3\/?page_id=4010"},"modified":"2018-10-22T20:04:52","modified_gmt":"2018-10-22T17:04:52","slug":"electrocatalysis","status":"publish","type":"page","link":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/en\/kineticsen\/electrocatalysis\/","title":{"rendered":"III. Kinetics of electrocatalytic reactions"},"content":{"rendered":"<p><span style=\"color: #000000;\">Multistep electrocatalytic reactions demonstrate the most complex kinetic patterns (e.g. <em>oxygen reduction and oxygen evolution reactions<\/em>). In this case, the research includes modeling of solid catalytic surfaces and reaction intermediates in the adsorbed state, as well as computing activation energies and preexponential factors for charge transfer and bond-dissociation\/formation events. The additional difficulty consists in establishing the nature of the reaction limiting step and mechanisms of consecutive steps (outersphere or innersphere reactions).<\/span><\/p>\n<p><span style=\"color: #000000;\">Our research is focused on the computational description of the oxygen reduction reaction kinetics at the surfaces of transition metal oxides (Mn oxides). Modeling of the catalytic surfaces and estimation of activation barriers is performed using DFT methods.<\/span><\/p>\n<p><a href=\"https:\/\/www.elch.chem.msu.ru\/wp3\/wp-content\/uploads\/2018\/07\/figure5.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-3679 size-large alignnone\" src=\"https:\/\/www.elch.chem.msu.ru\/wp3\/wp-content\/uploads\/2018\/07\/figure5-1024x360.jpg\" alt=\"\" width=\"640\" height=\"225\" srcset=\"https:\/\/www.elch.chem.msu.ru\/wp3\/wp-content\/uploads\/2018\/07\/figure5-1024x360.jpg 1024w, https:\/\/www.elch.chem.msu.ru\/wp3\/wp-content\/uploads\/2018\/07\/figure5-300x105.jpg 300w, https:\/\/www.elch.chem.msu.ru\/wp3\/wp-content\/uploads\/2018\/07\/figure5-768x270.jpg 768w, https:\/\/www.elch.chem.msu.ru\/wp3\/wp-content\/uploads\/2018\/07\/figure5-360x127.jpg 360w\" sizes=\"auto, (max-width: 640px) 100vw, 640px\" \/><\/a><\/p>\n<p><span style=\"color: #003366;\"><em>Activation barrier for O-O bond breaking in adsorbed HO<sub>2<\/sub><sup>&#8212; <\/sup>intermediate at the surface of Mn<sub>2<\/sub>O<sub>3<\/sub> oxide; geometries of the adsorbed intermediates of ORR at Mn oxides.<\/em><\/span><\/p>\n<p>&nbsp;<\/p>\n<p><span style=\"color: #000000;\">References<\/span><\/p>\n<ul class=\"activity\">\n<li><span style=\"color: #000000;\">V.A. Nikitina,\u00a0A.A. Kurilovich, A. Bonnefont, A.S. Ryabova, R.R. Nazmutdinov, E.R. Savinova, G.A. Tsirlina.\u00a0ORR on Simple Manganese Oxides: Molecular-Level Factors Determining Reaction Mechanisms and Electrocatalytic Activity. J. Electrochem. Soc., 165:15 (2018) J3199-J3208.<\/span><\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Multistep electrocatalytic reactions demonstrate the most complex kinetic patterns (e.g. oxygen reduction and oxygen evolution reactions). In this case, the research includes modeling of solid catalytic surfaces and reaction intermediates in the adsorbed state, as well as computing activation energies <a href=\"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/en\/kineticsen\/electrocatalysis\/\" class=\"read-more\">\u0447\u0438\u0442\u0430\u0442\u044c \u0434\u0430\u043b\u044c\u0448\u0435 &#8230;<\/a><\/p>\n","protected":false},"author":3,"featured_media":0,"parent":3916,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-4010","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/wp-json\/wp\/v2\/pages\/4010","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/wp-json\/wp\/v2\/users\/3"}],"replies":[{"embeddable":true,"href":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/wp-json\/wp\/v2\/comments?post=4010"}],"version-history":[{"count":10,"href":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/wp-json\/wp\/v2\/pages\/4010\/revisions"}],"predecessor-version":[{"id":4250,"href":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/wp-json\/wp\/v2\/pages\/4010\/revisions\/4250"}],"up":[{"embeddable":true,"href":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/wp-json\/wp\/v2\/pages\/3916"}],"wp:attachment":[{"href":"https:\/\/www.elch.chem.msu.ru\/wp3\/index.php\/wp-json\/wp\/v2\/media?parent=4010"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}