{"id":2290,"date":"2021-04-01T00:00:25","date_gmt":"2021-04-01T00:00:25","guid":{"rendered":"https:\/\/www.istp.cnr.it\/?post_type=product&#038;p=2290"},"modified":"2022-05-27T09:16:38","modified_gmt":"2022-05-27T09:16:38","slug":"dispersion-energy-effects-on-oxygen-interaction-with-cesiated-molybdenum-surfaces","status":"publish","type":"product","link":"https:\/\/www.istp.cnr.it\/it\/research-product\/dispersion-energy-effects-on-oxygen-interaction-with-cesiated-molybdenum-surfaces\/","title":{"rendered":"Dispersion energy effects on oxygen interaction with cesiated molybdenum surfaces"},"content":{"rendered":"<p>We studied the interaction of a medium coverage cesiated molybdenum surface with atomic and molecular oxygen by DFT-D method for singlet and triplet electronic spin states. Dispersion forces account up to 15% of the binding energies and provide a correct behaviour of the long-range interaction. No curve crossing was observed and the triplet electronic spin state of O\/O2, being the most stable, was then considered and used to build a reactive surface of O2 impinging on top of one sampled Cs surface atom. For the considered approaching geometry, the barrier estimated for molecule dissociation is of 1.3 eV.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Sanna N.; Rutigliano M.; Palma A.<\/p>\n","protected":false},"featured_media":2291,"comment_status":"closed","ping_status":"closed","template":"","meta":[],"product_cat":[574,526],"product_tag":[718,719,720,721,722],"class_list":["post-2290","product","type-product","status-publish","has-post-thumbnail","hentry","product_cat-journal-articles","product_cat-low-temperature-plasma","product_tag-cesiated-surface","product_tag-dft-calculations","product_tag-interaction-energies","product_tag-dispersion-energy","product_tag-gas-surface-pes","prodpage-style2"],"acf":[],"_links":{"self":[{"href":"https:\/\/www.istp.cnr.it\/it\/wp-json\/wp\/v2\/product\/2290","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.istp.cnr.it\/it\/wp-json\/wp\/v2\/product"}],"about":[{"href":"https:\/\/www.istp.cnr.it\/it\/wp-json\/wp\/v2\/types\/product"}],"replies":[{"embeddable":true,"href":"https:\/\/www.istp.cnr.it\/it\/wp-json\/wp\/v2\/comments?post=2290"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.istp.cnr.it\/it\/wp-json\/wp\/v2\/media\/2291"}],"wp:attachment":[{"href":"https:\/\/www.istp.cnr.it\/it\/wp-json\/wp\/v2\/media?parent=2290"}],"wp:term":[{"taxonomy":"product_cat","embeddable":true,"href":"https:\/\/www.istp.cnr.it\/it\/wp-json\/wp\/v2\/product_cat?post=2290"},{"taxonomy":"product_tag","embeddable":true,"href":"https:\/\/www.istp.cnr.it\/it\/wp-json\/wp\/v2\/product_tag?post=2290"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}