{"id":15434,"date":"2024-04-01T16:49:13","date_gmt":"2024-04-01T19:49:13","guid":{"rendered":"https:\/\/www.frbb.utn.edu.ar\/frbb\/?p=15434"},"modified":"2026-04-15T17:28:52","modified_gmt":"2026-04-15T20:28:52","slug":"msinibb0010065tc","status":"publish","type":"post","link":"https:\/\/www.frbb.utn.edu.ar\/frbb\/scyt\/proyectos\/vigentes-con-incentivo\/msinibb0010065tc\/","title":{"rendered":"MSINIBB0010065TC &#8211; Dise\u00f1o de nuevos materiales catal\u00edticos para la remediaci\u00f3n de contaminantes gaseosos"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-post\" data-elementor-id=\"15434\" class=\"elementor elementor-15434\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-d1c7369 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"d1c7369\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-5c92a04\" data-id=\"5c92a04\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-65f99b3 elementor-widget elementor-widget-elementskit-heading\" data-id=\"65f99b3\" data-element_type=\"widget\" data-widget_type=\"elementskit-heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<div class=\"ekit-wid-con\" ><div class=\"ekit-heading elementskit-section-title-wraper text_left   ekit_heading_tablet-   ekit_heading_mobile-\"><h2 class=\"ekit-heading--title elementskit-section-title \">MSINIBB0010065TC - Dise\u00f1o de nuevos materiales catal\u00edticos para la remediaci\u00f3n de contaminantes gaseosos<\/h2><\/div><\/div>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-501718a2 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"501718a2\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-2b8402a7\" data-id=\"2b8402a7\" data-element_type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-6d39c764 elementor-widget elementor-widget-text-editor\" data-id=\"6d39c764\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<style>\/*! elementor - v3.23.0 - 05-08-2024 *\/\n.elementor-widget-text-editor.elementor-drop-cap-view-stacked .elementor-drop-cap{background-color:#69727d;color:#fff}.elementor-widget-text-editor.elementor-drop-cap-view-framed .elementor-drop-cap{color:#69727d;border:3px solid;background-color:transparent}.elementor-widget-text-editor:not(.elementor-drop-cap-view-default) .elementor-drop-cap{margin-top:8px}.elementor-widget-text-editor:not(.elementor-drop-cap-view-default) .elementor-drop-cap-letter{width:1em;height:1em}.elementor-widget-text-editor .elementor-drop-cap{float:left;text-align:center;line-height:1;font-size:50px}.elementor-widget-text-editor .elementor-drop-cap-letter{display:inline-block}<\/style>\t\t\t\t<!-- wp:html -->\n<div class=\"row\">\n<div class=\"col-md-12\">\n<p><i class=\"fas fa-user-graduate\" style=\"padding-right: 5px; color: #bcce0f;\"><\/i> Director: <span style=\"font-weight: 600; text-transform: uppercase;\"> FUENTE, SILVIA<\/span><\/p>\n<p><i class=\"far fa-calendar-alt\" style=\"padding-right: 5px; color: #bcce0f;\"><\/i> Fecha de Inicio: <span style=\"font-weight: 600;\"> 1\/4\/2024 <\/span> &#8211; <i class=\"far fa-calendar-alt\" style=\"padding-left: 5px; padding-right: 5px; color: #bcce0f;\"><\/i> Fecha de Finalizaci\u00f3n: <span style=\"font-weight: 600;\"> 31\/3\/2027<\/span><\/p>\n<p><i class=\"fas fa-coins\" style=\"padding-right: 5px; color: #bcce0f;\"><\/i> Grupo\/UCT: <span style=\"font-weight: 600;\"> FRBB &#8211; UNS<\/span><\/p>\n<p><i class=\"fas fa-share-alt\" style=\"padding-right: 5px; color: #bcce0f;\"><\/i> Tipo de proyecto: <span style=\"font-weight: 600;\">Inter &#8211; Institucional CON incorporaci\u00f3n en programa incentivos<\/span><\/p>\n<\/div>\n<\/div>\n<!-- \/wp:html -->\n<p>&nbsp;<\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-7711a0a elementor-widget elementor-widget-eael-adv-tabs\" data-id=\"7711a0a\" data-element_type=\"widget\" data-widget_type=\"eael-adv-tabs.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t        <div data-scroll-on-click=\"no\" data-scroll-speed=\"300\" id=\"eael-advance-tabs-7711a0a\" class=\"eael-advance-tabs eael-tabs-horizontal eael-tab-auto-active \" data-tabid=\"7711a0a\">\n            <div class=\"eael-tabs-nav\">\n                <ul class=\"eael-tab-inline-icon\" role=\"tablist\">\n                                            <li id=\"integrantes-del-proyecto\" class=\"inactive eael-tab-item-trigger\" aria-selected=\"true\" data-tab=\"1\" role=\"tab\" tabindex=\"0\" aria-controls=\"integrantes-del-proyecto-tab\" aria-expanded=\"false\">\n                            \n                                                                <i class=\"fas fa-user-friends\"><\/i>                                                            \n                                                            <span class=\"eael-tab-title  title-after-icon\">Integrantes del proyecto<\/span>                            \n                                                    <\/li>\n                                            <li id=\"resumen-del-proyecto\" class=\"active-default eael-tab-item-trigger\" aria-selected=\"false\" data-tab=\"2\" role=\"tab\" tabindex=\"-1\" aria-controls=\"resumen-del-proyecto-tab\" aria-expanded=\"false\">\n                            \n                                                                <i class=\"fas fa-file-signature\"><\/i>                                                            \n                                                            <span class=\"eael-tab-title  title-after-icon\">Resumen del proyecto<\/span>                            \n                                                    <\/li>\n                                    <\/ul>\n            <\/div>\n            \n            <div class=\"eael-tabs-content\">\n\t\t        \n                    <div id=\"integrantes-del-proyecto-tab\" class=\"clearfix eael-tab-content-item inactive\" data-title-link=\"integrantes-del-proyecto-tab\">\n\t\t\t\t        \t\t\t\t\t        <!--wp html -->\n<div class=\"row\">\n<div class=\"col-xs-12 col-sm-12 col-md-6\">\n<div class=\"intgemat shadow-sm text-left\" style=\"background-color: #ffffff; font-size: 15px; border-radius: 0px; padding-bottom: 30px; padding-top: 30px; padding-left: 20px; color: #333; border: none;\">\n<p class=\"text-left\" style=\"padding-bottom: 5px;\"><i class=\"fa fa-user\" style=\"font-size: 17px; padding-right: 5px; color: #bcce0f; font-weight: bold;\"><\/i> <span style=\"font-size: 14px; padding-bottom: 5px; font-weight: 600;\">DIRECTORA <\/span><\/p>\n<ul style=\"margin-left: 0.2em;\">\n<li style=\"font-size: 15px; text-transform: uppercase;\">FUENTE, SILVIA<\/li>\n<\/ul>\n<p class=\"text-left\" style=\"padding-bottom: 5px; padding-top: 8px;\"><i class=\"fa fa-user\" style=\"font-size: 17px; padding-right: 5px; color: #bcce0f; font-weight: bold;\"><\/i> <span style=\"font-size: 14px; padding-bottom: 5px; font-weight: 600;\">CO-DIRECTOR<\/span><\/p>\n<ul style=\"margin-left: 0.2em;\">\n<li style=\"font-size: 15px;\"><span style=\"text-transform: capitalize;\">Ferullo Ricardo<\/span><\/li>\n<\/ul>\n\n<\/div>\n<\/div>\n<div class=\"col-xs-12 col-sm-12 col-md-6\">\n<div class=\"intgemat shadow-sm text-left\" style=\"background-color: #ffffff; font-size: 15px; border-radius: 0px; padding-bottom: 30px; padding-top: 30px; padding-left: 20px; color: #333; border: none;\">\n<p class=\"text-left\" style=\"padding-bottom: 5px;\"><i class=\"fa fa-user\" style=\"font-size: 17px; padding-right: 5px; color: #bcce0f; font-weight: bold;\"><\/i> <span style=\"font-size: 14px; padding-bottom: 5px; font-weight: 600;\">INVESTIGADORES FORMADOS<\/span><\/p>\n<ul style=\"margin-left: 0.2em;\">\n<li style=\"font-size: 15px;\"><span style=\"text-transform: capitalize;\">Zubieta Carolina<\/span><\/li>\n<li style=\"font-size: 15px;\"><span style=\"text-transform: capitalize;\">Castellani Norberto<\/span><\/li>\n<li style=\"font-size: 15px;\"><span style=\"text-transform: capitalize;\">Morgade Cecilia<\/span><\/li>\n<li style=\"font-size: 15px;\"><span style=\"text-transform: capitalize;\">Meier Lorena<\/span><\/li>\n<li style=\"font-size: 15px;\"><span style=\"text-transform: capitalize;\">Rosi Ana Cecilia<\/span><\/li>\n<li style=\"font-size: 15px;\"><span style=\"text-transform: capitalize;\">Domancich Nicol\u00e1s<\/span><\/li>\n<li style=\"font-size: 15px;\"><span style=\"text-transform: capitalize;\">Belelli Patricia<\/span><\/li>\n<li style=\"font-size: 15px;\"><span style=\"text-transform: capitalize;\">Hurtado Aular Oscar Enrique<\/span><\/li>\n<\/ul>\n\n<\/div>\n<\/div>\n<\/div>\n<!--\/wp html -->\t\t\t\t                            <\/div>\n\t\t        \n                    <div id=\"resumen-del-proyecto-tab\" class=\"clearfix eael-tab-content-item active-default\" data-title-link=\"resumen-del-proyecto-tab\">\n\t\t\t\t        \t\t\t\t\t        <h5>Resumen<\/h5>\n<p>Este proyecto plantea el dise\u00f1o de nuevos materiales catal\u00edticos capaces de remover o captar selectivamente y reutilizar contaminantes gaseosos tales como el CO2, buscando reconvertirlo a productos con mayor valor agregado, como una alternativa de remediaci\u00f3n ambiental. Mediante herramientas de Cat\u00e1lisis Computacional se estudiar\u00e1n las propiedades adsortivas y reactivas de diversos materiales en fase s\u00f3lida de inter\u00e9s tecnol\u00f3gico por sus implicancias en aspectos ambientales, energ\u00e9ticos y de la nanotecnolog\u00eda. La interacci\u00f3n mol\u00e9cula-s\u00f3lido y \u00e1tomo-s\u00f3lido se modelar\u00e1n con el m\u00e9todo de primeros principios basados en Teor\u00eda del Funcional de la Densidad (DFT), y los sitios superficiales se representar\u00e1n mediante modelos de racimos at\u00f3micos o considerando condiciones peri\u00f3dicas. Los sistemas mol\u00e9cula-sustrato a estudiar en este proyecto se pueden clasificar b\u00e1sicamente seg\u00fan el tipo de sustrato donde las mol\u00e9culas se adsorben y reaccionan: grafeno, \u00f3xidos y nanopart\u00edculas de \u00f3xidos soportadas sobre superficies met\u00e1licas.<\/p>\n<p>Las metodolog\u00edas a emplear proveer\u00e1n informaci\u00f3n sobre aspectos mecan\u00edsticos y microsc\u00f3picos espec\u00edficos de los procesos adsortivos\/reactivos sobre estos sustratos y sobre la estructura electr\u00f3nica esencial, a fin de interpretar los resultados de optimizaci\u00f3n geom\u00e9trica y de energ\u00eda total. Se espera que los resultados te\u00f3ricos a obtener se puedan comparar con resultados experimentales, complementando la informaci\u00f3n que se precisa para llevar adelante el desarrollo de nuevos materiales con propiedades adsortivas y catal\u00edticas de inter\u00e9s tecnol\u00f3gico.<\/p>\n<p>Habitualmente, los catalizadores usados en la pr\u00e1ctica son a menudo muy complejos desde el punto de vista estructural. Por este motivo, y con el objeto de interpretar los fen\u00f3menos que ocurren en ellos, se propone la realizaci\u00f3n de c\u00e1lculos que permitan el estudio de reacciones qu\u00edmicas seleccionadas sobre superficies cristalinas bien definidas. La propuesta apunta a generar informaci\u00f3n que permita comprender y desarrollar catalizadores modelo. A partir de la qu\u00edmica y f\u00edsica te\u00f3ricas se permite clarificar y obtener informaci\u00f3n que no es posible visualizar a trav\u00e9s de t\u00e9cnicas experimentales; se pueden estudiar diferentes fen\u00f3menos superficiales como adsorci\u00f3n, disociaci\u00f3n, difusi\u00f3n, segregaci\u00f3n, formaci\u00f3n de vacancias, influencia de defectos superficiales, reactividad de la interfaz., etc. Dentro de esta disciplina se encuentran los m\u00e9todos qu\u00edmico-cu\u00e1nticos de primeros principios que, como lo indica el nombre, no requiere de parametrizaci\u00f3n por lo que constituyen una imprescindible y poderosa herramienta predictiva.<\/p>\n<p>La metodolog\u00eda prevista para el desarrollo de este proyecto es la utilizaci\u00f3n del software comercial VASP (Vienna Ab-initio Simulation Package) como m\u00e9todo de c\u00e1lculo, basado en un modelo peri\u00f3dico y un conjunto base de ondas planas.<\/p>\n<p>El proyecto busca adem\u00e1s generar v\u00ednculos y trabajos conjuntos con grupos de investigaci\u00f3n experimental de otras Universidades.<\/p>\t\t\t\t                            <\/div>\n\t\t                    <\/div>\n        <\/div>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>MSINIBB0010065TC \u2013 Dise\u00f1o de nuevos materiales catal\u00edticos para la remediaci\u00f3n de contaminantes gaseosos Directora: FUENTE, SILVIA Inicio: 1\/04\/2024 \u2013 Finalizaci\u00f3n: 31\/03\/2027.<\/p>\n","protected":false},"author":3,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","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":"disabled","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":"set","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center 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