{"id":91333,"date":"2018-03-11T10:10:02","date_gmt":"2018-03-11T10:10:02","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/study-of-the-geometry-and-electronic-structure-of-self-assembled-monolayers-on-the-au111-surface\/"},"modified":"2018-03-11T10:10:02","modified_gmt":"2018-03-11T10:10:02","slug":"study-of-the-geometry-and-electronic-structure-of-self-assembled-monolayers-on-the-au111-surface","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/interfases\/study-of-the-geometry-and-electronic-structure-of-self-assembled-monolayers-on-the-au111-surface\/","title":{"rendered":"Study of the geometry and electronic structure of  self-assembled monolayers on the au(111) surface"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Nora Gonzalez Lacunza <\/strong><\/h2>\n<p>Esta tesis presenta un estudio te\u00f3rico, mediante el formalismo de teor\u00eda del funcional de densidad  (dft), de las geometr\u00edas y propiedades electr\u00f3nicas de films delgados de mol\u00e9culas org\u00e1nicas adsorbidas en au(111). En funci\u00f3n de la intensidad relativa de las interacciones adsorbato-adsorbato y adsorbato-substrato, que son las interacciones que gobiernan el autoensamblado de dichos films, han sido analizados en detalle tres sistemas distintos: quimisorci\u00f3n de peque\u00f1os thiolatos (azufre, y m\u00f3leculas simples con azufre), adsorci\u00f3n de complejos de trasferencia de carga donor-acceptor (tetrathiafulvalene, ttf y 7,7,88-tetracyanoquinodimethane, tcnq), y coadsorci\u00f3n de poliarenos con grupos funcionales complementarios amina y imida (1,4-bis(4,6-diamino-1,2,5-triazin-2-yl)benzene, bdg y naphtalene tetracarboxylic diimide, ntcdi). con el objetivo de entender la f\u00edsica subyacente en la formaci\u00f3n de dichas monocapas autoensambladas, resultados experimentales disponibles (principalmente medidas de stm y sts) son contrastados gracias al uso de distintas herramientas te\u00f3ricas, que incluyen, aparte de geometr\u00edas relajadas y an\u00e1lisis energ\u00e9tico, densidades electr\u00f3nicas inducidas, proyecci\u00f3n de densidad de estados en orbitales at\u00f3micos y moleculares, c\u00e1lculo de la estructura de bandas, transferencia de carga, etc.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Study of the geometry and electronic structure of  self-assembled monolayers on the au(111) surface<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Study of the geometry and electronic structure of  self-assembled monolayers on the au(111) surface <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Nora Gonzalez Lacunza <\/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 23\/01\/2009<\/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>Nicolas Lorente Palacios<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: roman Fasel <\/li>\n<li>marie-laure Bocquet (vocal)<\/li>\n<li>Jos\u00e9 ignacio Pascual chico (vocal)<\/li>\n<li>roberto Otero martin (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Nora Gonzalez Lacunza Esta tesis presenta un estudio te\u00f3rico, mediante el formalismo de teor\u00eda del funcional de [&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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