{"id":113850,"date":"2018-03-11T10:41:31","date_gmt":"2018-03-11T10:41:31","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/reactivity-and-dynamics-of-n2-and-o2-molecules-on-different-metal-surfaces\/"},"modified":"2018-03-11T10:41:31","modified_gmt":"2018-03-11T10:41:31","slug":"reactivity-and-dynamics-of-n2-and-o2-molecules-on-different-metal-surfaces","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/superficies\/reactivity-and-dynamics-of-n2-and-o2-molecules-on-different-metal-surfaces\/","title":{"rendered":"Reactivity and dynamics of n2 and o2 molecules on different metal surfaces"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Itziar Goicoechea Martinez <\/strong><\/h2>\n<p>En esta tesis se han analizado diferentes aspectos que pueden afectar a la din\u00e1mica de mol\u00e9culasdiat\u00f3micas sobre la superficie de distintos metales. Por un lado, se han estudiado la influencia quejuega el par\u00e1metro de red en la reactividad. Para ello, se ha comparado la din\u00e1mica de mol\u00e9culasden2 sobre fe(110) con la din\u00e1mica de mol\u00e9culas de n2 incidiendo sobre una monocapa de fe crecidapseudom\u00f3rficamente sobre w(110). En esta \u00faltima superficie, el par\u00e1metro de red es mayor que enfe(110). De acuerdo con los resultados experimentales, la adsorci\u00f3n molecular aumente enn2\/fe\/w(110) comparado con n2\/fe(110). Adem\u00e1s para entender el origen de dicho cambio se hananalizado la densidad de estados superficiales de ambos sistemas.Por otro lado, se ha investiado el papel que tiene el estado de esp\u00edn de la mol\u00e9cula incidente sobrela reactividad del sistema. En este caso, el sistema analizado es o2\/ag(111). La motivaci\u00f3n paraeste estudio parte de un trabajo anterior donde se observ\u00f3 que para describir correctamente lainteracci\u00f3n de o2 sobre al(111), era necesario invocar la presencia de efectos no-adiab\u00e1ticosdebidos a cambios de esp\u00edn (transiciones triplete-singlete). Por ello, ahora la pregunta es si en elcaso de o2\/ag(111) es tambi\u00e9n necesario invocar dichos efectos. Para ello se han analizado lasprobabilidades de sticking disociativo , la distribuci\u00f3n de las mol\u00e9culas reflejadas y la p\u00e9rdida deenerg\u00eda de \u00e9stas \u00faltimas.Finalmente, y de modo m\u00e1s breve se han estudiado el efecto que las excitaciones de pares electr\u00f3nhuecotienen sobre la reactividad de mol\u00e9culas de n2 sobre las superficies de w(110) y w(100).<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Reactivity and dynamics of n2 and o2 molecules on different metal surfaces<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Reactivity and dynamics of n2 and o2 molecules on different metal surfaces <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Itziar Goicoechea Martinez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Pa\u00eds vasco\/euskal herriko unibertsitatea<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 21\/02\/2013<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Joseba I\u00f1aki Juaristi Oliden<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: andres Arnau pino <\/li>\n<li>daniel Farias tejerina (vocal)<\/li>\n<li>pascal Larregaray (vocal)<\/li>\n<li>nerea Zabala unzalu (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Itziar Goicoechea Martinez En esta tesis se han analizado diferentes aspectos que pueden afectar a la din\u00e1mica [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center 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