{"id":337,"date":"2023-09-12T10:19:10","date_gmt":"2023-09-12T10:19:10","guid":{"rendered":"https:\/\/ub.edu\/tssc\/?page_id=337"},"modified":"2023-10-11T09:20:03","modified_gmt":"2023-10-11T09:20:03","slug":"research-lines","status":"publish","type":"page","link":"https:\/\/www.ub.edu\/tssc\/research-lines\/","title":{"rendered":"Research Lines"},"content":{"rendered":"<p><div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-1 fusion-flex-container has-pattern-background has-mask-background nonhundred-percent-fullwidth non-hundred-percent-height-scrolling\" style=\"--awb-border-radius-top-left:0px;--awb-border-radius-top-right:0px;--awb-border-radius-bottom-right:0px;--awb-border-radius-bottom-left:0px;--awb-background-color:var(--awb-custom_color_1);--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-flex-start fusion-flex-content-wrap\" style=\"max-width:1248px;margin-left: calc(-4% \/ 2 );margin-right: calc(-4% \/ 2 );\"><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-0 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-bg-color:var(--awb-custom_color_1);--awb-bg-color-hover:var(--awb-custom_color_1);--awb-bg-size:cover;--awb-width-large:100%;--awb-margin-top-large:0px;--awb-spacing-right-large:1.92%;--awb-margin-bottom-large:20px;--awb-spacing-left-large:1.92%;--awb-width-medium:100%;--awb-order-medium:0;--awb-spacing-right-medium:1.92%;--awb-spacing-left-medium:1.92%;--awb-width-small:100%;--awb-order-small:0;--awb-spacing-right-small:1.92%;--awb-spacing-left-small:1.92%;\" data-motion-effects=\"[{&quot;type&quot;:&quot;&quot;,&quot;scroll_type&quot;:&quot;transition&quot;,&quot;scroll_direction&quot;:&quot;up&quot;,&quot;transition_speed&quot;:&quot;1&quot;,&quot;fade_type&quot;:&quot;in&quot;,&quot;scale_type&quot;:&quot;up&quot;,&quot;initial_scale&quot;:&quot;1&quot;,&quot;max_scale&quot;:&quot;1.5&quot;,&quot;min_scale&quot;:&quot;0.5&quot;,&quot;initial_rotate&quot;:&quot;0&quot;,&quot;end_rotate&quot;:&quot;30&quot;,&quot;initial_blur&quot;:&quot;0&quot;,&quot;end_blur&quot;:&quot;3&quot;,&quot;start_element&quot;:&quot;top&quot;,&quot;start_viewport&quot;:&quot;bottom&quot;,&quot;end_element&quot;:&quot;bottom&quot;,&quot;end_viewport&quot;:&quot;top&quot;,&quot;mouse_effect&quot;:&quot;track&quot;,&quot;mouse_effect_direction&quot;:&quot;opposite&quot;,&quot;mouse_effect_speed&quot;:&quot;2&quot;,&quot;infinite_animation&quot;:&quot;float&quot;,&quot;infinite_animation_speed&quot;:&quot;2&quot;}]\" data-scroll-devices=\"small-visibility,medium-visibility,large-visibility\"><div class=\"fusion-column-wrapper fusion-column-has-shadow fusion-flex-justify-content-flex-start fusion-content-layout-column\"><div class=\"fusion-text fusion-text-1\" style=\"--awb-font-size:24px;--awb-text-color:#ffffff;\"><h1 class=\"titulo-pagina\">Research Lines<\/h1>\n<\/div><\/div><\/div><\/div><\/div><div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-2 fusion-flex-container has-pattern-background has-mask-background nonhundred-percent-fullwidth non-hundred-percent-height-scrolling\" style=\"--awb-border-radius-top-left:0px;--awb-border-radius-top-right:0px;--awb-border-radius-bottom-right:0px;--awb-border-radius-bottom-left:0px;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-flex-start fusion-flex-content-wrap\" style=\"max-width:1248px;margin-left: calc(-4% \/ 2 );margin-right: calc(-4% \/ 2 );\"><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-1 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-bg-size:cover;--awb-width-large:100%;--awb-margin-top-large:0px;--awb-spacing-right-large:1.92%;--awb-margin-bottom-large:20px;--awb-spacing-left-large:1.92%;--awb-width-medium:100%;--awb-order-medium:0;--awb-spacing-right-medium:1.92%;--awb-spacing-left-medium:1.92%;--awb-width-small:100%;--awb-order-small:0;--awb-spacing-right-small:1.92%;--awb-spacing-left-small:1.92%;\"><div class=\"fusion-column-wrapper fusion-column-has-shadow fusion-flex-justify-content-flex-start fusion-content-layout-column\"><nav class=\"fusion-breadcrumbs awb-yoast-breadcrumbs fusion-breadcrumbs-1\" style=\"--awb-alignment:left;--awb-text-color:#888888;--awb-breadcrumb-sep:&#039;&gt;&#039;;text-align:left;\" aria-label=\"Breadcrumb\"><span><span><a href=\"https:\/\/www.ub.edu\/tssc\/\">Home<\/a><\/span><\/span><\/nav><\/div><\/div><\/div><\/div><div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-3 fusion-flex-container has-pattern-background has-mask-background nonhundred-percent-fullwidth non-hundred-percent-height-scrolling\" style=\"--awb-border-radius-top-left:0px;--awb-border-radius-top-right:0px;--awb-border-radius-bottom-right:0px;--awb-border-radius-bottom-left:0px;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-flex-start fusion-flex-content-wrap\" style=\"max-width:1248px;margin-left: calc(-4% \/ 2 );margin-right: calc(-4% \/ 2 );\"><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-2 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-bg-size:cover;--awb-width-large:100%;--awb-margin-top-large:0px;--awb-spacing-right-large:1.92%;--awb-margin-bottom-large:20px;--awb-spacing-left-large:1.92%;--awb-width-medium:100%;--awb-order-medium:0;--awb-spacing-right-medium:1.92%;--awb-spacing-left-medium:1.92%;--awb-width-small:100%;--awb-order-small:0;--awb-spacing-right-small:1.92%;--awb-spacing-left-small:1.92%;\"><div class=\"fusion-column-wrapper fusion-column-has-shadow fusion-flex-justify-content-flex-start fusion-content-layout-column\"><div class=\"fusion-text fusion-text-2\" style=\"--awb-font-size:18px;\"><p>The TSSC focuses on understanding the materials properties by means of theoretical and computational methods coupled to machined learning approaches with the ultimate goal to i) tune their performance in catalysis, including heterogeneous catalysis, photocatalysis, and electrocatalysis, ii) predict properties of nanomaterials in for different applications. The TSSC collaborates with national and international groups from both experimental and computational sides to create synergies and thus better focus on practical problems of technological and\/or environmental importance.<\/p>\n<\/div><div class=\"fusion-blog-shortcode fusion-blog-shortcode-1 fusion-blog-archive fusion-blog-layout-grid-wrapper fusion-blog-pagination\" style=\"--awb-title-font-size:18px;--awb-timeline-title-font-size:18px;--awb-title-font-family:&quot;Lato&quot;;--awb-title-font-style:normal;--awb-title-font-weight:400;\"><style type=\"text\/css\">.fusion-blog-shortcode-1 .fusion-blog-layout-grid .fusion-post-grid{padding:20px;}.fusion-blog-shortcode-1 .fusion-posts-container{margin-left: -20px !important; margin-right:-20px !important;}<\/style><div class=\"fusion-posts-container fusion-posts-container-pagination fusion-no-meta-info fusion-blog-rollover fusion-blog-layout-grid fusion-blog-layout-grid-2 isotope fusion-blog-equal-heights\" data-pages=\"1\" data-grid-col-space=\"40\" style=\"margin: -20px -20px 0;min-height:500px;\"><article id=\"blog-1-post-357\" class=\"fusion-post-grid post-357 post type-post status-publish format-standard has-post-thumbnail hentry category-research-lines\">\n<div class=\"fusion-post-wrapper\" style=\"background-color:rgba(255,255,255,0);border:1px solid #f2f3f5;border-bottom-width:3px;\">\n\n\t\t\t<div class=\"fusion-flexslider flexslider fusion-flexslider-loading fusion-post-slideshow\" style=\"border-color:#f2f3f5;\">\n\t\t<ul class=\"slides\">\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<li><div  class=\"fusion-image-wrapper\" aria-haspopup=\"true\">\n\t\t\t\t<img decoding=\"async\" width=\"500\" height=\"500\" src=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/10\/nanostructures.jpg\" class=\"attachment-full size-full wp-post-image\" alt=\"nanostructures\" srcset=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/10\/nanostructures-200x200.jpg 200w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/10\/nanostructures-400x400.jpg 400w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/10\/nanostructures.jpg 500w\" sizes=\"(min-width: 2200px) 100vw, (min-width: 712px) 580px, (min-width: 640px) 712px, \" \/><div class=\"fusion-rollover\">\n\t<div class=\"fusion-rollover-content\">\n\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"fusion-rollover-link\" href=\"https:\/\/www.ub.edu\/tssc\/design-of-nanostructures\/\">Design of nanostructures<\/a>\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t<div class=\"fusion-rollover-sep\"><\/div>\n\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"fusion-rollover-gallery\" href=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/10\/nanostructures.jpg\" data-id=\"357\" data-rel=\"iLightbox[gallery]\" data-title=\"nanostructures\" data-caption=\"\">\n\t\t\t\t\t\tGaler\u00eda\t\t\t\t\t<\/a>\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\n\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t<h4 class=\"fusion-rollover-title\">\n\t\t\t\t\t<a class=\"fusion-rollover-title-link\" href=\"https:\/\/www.ub.edu\/tssc\/design-of-nanostructures\/\">\n\t\t\t\t\t\tDesign of nanostructures\t\t\t\t\t<\/a>\n\t\t\t\t<\/h4>\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t<div class=\"fusion-rollover-categories\"><a href=\"https:\/\/www.ub.edu\/tssc\/category\/research-lines\/\" rel=\"tag\">Research Lines<\/a><\/div>\t\t\t\t\t\n\t\t\n\t\t\t\t\t\t<a class=\"fusion-link-wrapper\" href=\"https:\/\/www.ub.edu\/tssc\/design-of-nanostructures\/\" aria-label=\"Design of nanostructures\"><\/a>\n\t<\/div>\n<\/div>\n<\/div>\n<\/li>\n\t\t\t\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/ul>\n\t<\/div>\n\t<div class=\"fusion-post-content-wrapper\" style=\"padding:30px 25px 25px 25px;\"><div class=\"fusion-post-content post-content\"><h1 class=\"blog-shortcode-post-title entry-title\"><a href=\"https:\/\/www.ub.edu\/tssc\/design-of-nanostructures\/\">Design of nanostructures<\/a><\/h1><div class=\"fusion-post-content-container\"><div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-3-1 fusion-flex-container has-pattern-background has-mask-background nonhundred-percent-fullwidth non-hundred-percent-height-scrolling\" style=\"--awb-border-radius-top-left:0px;--awb-border-radius-top-right:0px;--awb-border-radius-bottom-right:0px;--awb-border-radius-bottom-left:0px;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-flex-start fusion-flex-content-wrap\" style=\"width:104% !important;max-width:104% !important;margin-left: calc(-4% \/ 2 );margin-right: calc(-4% \/ 2 );\"><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-3 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-bg-size:cover;--awb-width-large:100%;--awb-margin-top-large:0px;--awb-spacing-right-large:1.92%;--awb-margin-bottom-large:20px;--awb-spacing-left-large:1.92%;--awb-width-medium:100%;--awb-order-medium:0;--awb-spacing-right-medium:1.92%;--awb-spacing-left-medium:1.92%;--awb-width-small:100%;--awb-order-small:0;--awb-spacing-right-small:1.92%;--awb-spacing-left-small:1.92%;\"><div class=\"fusion-column-wrapper fusion-column-has-shadow fusion-flex-justify-content-flex-start fusion-content-layout-column\"><div class=\"fusion-text fusion-text-3\" style=\"--awb-content-alignment:justify;--awb-font-size:16px;\"><p>Tailoring of nanostructures with implications in catalysis, including nanoparticles and two-dimensional systems (MXenes, graphene, graphynes, grazynes, and COFs). Analysis of the properties with size, morphology, and composition. Study of the quantum confinement and its impact on the resulting electronic properties of semiconducting nanostructures (i.e., ZnO, TiO<sub>2<\/sub>, WO<sub>3<\/sub>) and charge transport on the 2D materials.<\/p>\n<\/div><\/div><\/div><\/div><\/div>\n<\/div><\/div><\/div><div class=\"fusion-clearfix\"><\/div><\/div>\n<\/article>\n<article id=\"blog-1-post-354\" class=\"fusion-post-grid post-354 post type-post status-publish format-standard has-post-thumbnail hentry category-research-lines\">\n<div class=\"fusion-post-wrapper\" style=\"background-color:rgba(255,255,255,0);border:1px solid #f2f3f5;border-bottom-width:3px;\">\n\n\t\t\t<div class=\"fusion-flexslider flexslider fusion-flexslider-loading fusion-post-slideshow\" style=\"border-color:#f2f3f5;\">\n\t\t<ul class=\"slides\">\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<li><div  class=\"fusion-image-wrapper\" aria-haspopup=\"true\">\n\t\t\t\t<img decoding=\"async\" width=\"1673\" height=\"1673\" src=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/photocatalysis1.png\" class=\"attachment-full size-full wp-post-image\" alt=\"photocatalysis1\" srcset=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/photocatalysis1-200x200.png 200w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/photocatalysis1-400x400.png 400w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/photocatalysis1-600x600.png 600w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/photocatalysis1-800x800.png 800w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/photocatalysis1-1200x1200.png 1200w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/photocatalysis1.png 1673w\" sizes=\"(min-width: 2200px) 100vw, (min-width: 712px) 580px, (min-width: 640px) 712px, \" \/><div class=\"fusion-rollover\">\n\t<div class=\"fusion-rollover-content\">\n\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"fusion-rollover-link\" href=\"https:\/\/www.ub.edu\/tssc\/photocatalysis\/\">Photocatalysis<\/a>\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t<div class=\"fusion-rollover-sep\"><\/div>\n\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"fusion-rollover-gallery\" href=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/photocatalysis1.png\" data-id=\"354\" data-rel=\"iLightbox[gallery]\" data-title=\"photocatalysis1\" data-caption=\"\">\n\t\t\t\t\t\tGaler\u00eda\t\t\t\t\t<\/a>\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\n\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t<h4 class=\"fusion-rollover-title\">\n\t\t\t\t\t<a class=\"fusion-rollover-title-link\" href=\"https:\/\/www.ub.edu\/tssc\/photocatalysis\/\">\n\t\t\t\t\t\tPhotocatalysis\t\t\t\t\t<\/a>\n\t\t\t\t<\/h4>\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t<div class=\"fusion-rollover-categories\"><a href=\"https:\/\/www.ub.edu\/tssc\/category\/research-lines\/\" rel=\"tag\">Research Lines<\/a><\/div>\t\t\t\t\t\n\t\t\n\t\t\t\t\t\t<a class=\"fusion-link-wrapper\" href=\"https:\/\/www.ub.edu\/tssc\/photocatalysis\/\" aria-label=\"Photocatalysis\"><\/a>\n\t<\/div>\n<\/div>\n<\/div>\n<\/li>\n\t\t\t\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/ul>\n\t<\/div>\n\t<div class=\"fusion-post-content-wrapper\" style=\"padding:30px 25px 25px 25px;\"><div class=\"fusion-post-content post-content\"><h1 class=\"blog-shortcode-post-title entry-title\"><a href=\"https:\/\/www.ub.edu\/tssc\/photocatalysis\/\">Photocatalysis<\/a><\/h1><div class=\"fusion-post-content-container\"><div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-3-2 fusion-flex-container has-pattern-background has-mask-background nonhundred-percent-fullwidth non-hundred-percent-height-scrolling\" style=\"--awb-border-radius-top-left:0px;--awb-border-radius-top-right:0px;--awb-border-radius-bottom-right:0px;--awb-border-radius-bottom-left:0px;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-flex-start fusion-flex-content-wrap\" style=\"width:104% !important;max-width:104% !important;margin-left: calc(-4% \/ 2 );margin-right: calc(-4% \/ 2 );\"><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-4 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-bg-size:cover;--awb-width-large:100%;--awb-margin-top-large:0px;--awb-spacing-right-large:1.92%;--awb-margin-bottom-large:20px;--awb-spacing-left-large:1.92%;--awb-width-medium:100%;--awb-order-medium:0;--awb-spacing-right-medium:1.92%;--awb-spacing-left-medium:1.92%;--awb-width-small:100%;--awb-order-small:0;--awb-spacing-right-small:1.92%;--awb-spacing-left-small:1.92%;\"><div class=\"fusion-column-wrapper fusion-column-has-shadow fusion-flex-justify-content-flex-start fusion-content-layout-column\"><div class=\"fusion-text fusion-text-4\" style=\"--awb-content-alignment:justify;--awb-font-size:16px;\"><p>The aim here is understanding the mechanisms of photocatalytic processes of interest with the aim to improve existing materials by bandgap engineering, doping, and band leveling, plus investigating the potential energy surface in the ground and excited states. Simulations based on non-adiabatic molecular dynamics are employed to estimate the lifetimes of the photogenerated charge carriers, a key to increase the quantum yield.<\/p>\n<\/div><\/div><\/div><\/div><\/div>\n<\/div><\/div><\/div><div class=\"fusion-clearfix\"><\/div><\/div>\n<\/article>\n<article id=\"blog-1-post-349\" class=\"fusion-post-grid post-349 post type-post status-publish format-standard has-post-thumbnail hentry category-research-lines\">\n<div class=\"fusion-post-wrapper\" style=\"background-color:rgba(255,255,255,0);border:1px solid #f2f3f5;border-bottom-width:3px;\">\n\n\t\t\t<div class=\"fusion-flexslider flexslider fusion-flexslider-loading fusion-post-slideshow\" style=\"border-color:#f2f3f5;\">\n\t\t<ul class=\"slides\">\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<li><div  class=\"fusion-image-wrapper\" aria-haspopup=\"true\">\n\t\t\t\t<img decoding=\"async\" width=\"1849\" height=\"1849\" src=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/Electrocatalysis1.png\" class=\"attachment-full size-full wp-post-image\" alt=\"Electrocatalysis1\" srcset=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/Electrocatalysis1-200x200.png 200w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/Electrocatalysis1-400x400.png 400w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/Electrocatalysis1-600x600.png 600w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/Electrocatalysis1-800x800.png 800w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/Electrocatalysis1-1200x1200.png 1200w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/Electrocatalysis1.png 1849w\" sizes=\"(min-width: 2200px) 100vw, (min-width: 712px) 580px, (min-width: 640px) 712px, \" \/><div class=\"fusion-rollover\">\n\t<div class=\"fusion-rollover-content\">\n\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"fusion-rollover-link\" href=\"https:\/\/www.ub.edu\/tssc\/electrocatalysis\/\">Electrocatalysis<\/a>\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t<div class=\"fusion-rollover-sep\"><\/div>\n\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"fusion-rollover-gallery\" href=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/Electrocatalysis1.png\" data-id=\"349\" data-rel=\"iLightbox[gallery]\" data-title=\"Electrocatalysis1\" data-caption=\"\">\n\t\t\t\t\t\tGaler\u00eda\t\t\t\t\t<\/a>\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\n\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t<h4 class=\"fusion-rollover-title\">\n\t\t\t\t\t<a class=\"fusion-rollover-title-link\" href=\"https:\/\/www.ub.edu\/tssc\/electrocatalysis\/\">\n\t\t\t\t\t\tElectrocatalysis\t\t\t\t\t<\/a>\n\t\t\t\t<\/h4>\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t<div class=\"fusion-rollover-categories\"><a href=\"https:\/\/www.ub.edu\/tssc\/category\/research-lines\/\" rel=\"tag\">Research Lines<\/a><\/div>\t\t\t\t\t\n\t\t\n\t\t\t\t\t\t<a class=\"fusion-link-wrapper\" href=\"https:\/\/www.ub.edu\/tssc\/electrocatalysis\/\" aria-label=\"Electrocatalysis\"><\/a>\n\t<\/div>\n<\/div>\n<\/div>\n<\/li>\n\t\t\t\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/ul>\n\t<\/div>\n\t<div class=\"fusion-post-content-wrapper\" style=\"padding:30px 25px 25px 25px;\"><div class=\"fusion-post-content post-content\"><h1 class=\"blog-shortcode-post-title entry-title\"><a href=\"https:\/\/www.ub.edu\/tssc\/electrocatalysis\/\">Electrocatalysis<\/a><\/h1><div class=\"fusion-post-content-container\"><div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-3-3 fusion-flex-container has-pattern-background has-mask-background nonhundred-percent-fullwidth non-hundred-percent-height-scrolling\" style=\"--awb-border-radius-top-left:0px;--awb-border-radius-top-right:0px;--awb-border-radius-bottom-right:0px;--awb-border-radius-bottom-left:0px;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-flex-start fusion-flex-content-wrap\" style=\"width:104% !important;max-width:104% !important;margin-left: calc(-4% \/ 2 );margin-right: calc(-4% \/ 2 );\"><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-5 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-bg-size:cover;--awb-width-large:100%;--awb-margin-top-large:0px;--awb-spacing-right-large:1.92%;--awb-margin-bottom-large:20px;--awb-spacing-left-large:1.92%;--awb-width-medium:100%;--awb-order-medium:0;--awb-spacing-right-medium:1.92%;--awb-spacing-left-medium:1.92%;--awb-width-small:100%;--awb-order-small:0;--awb-spacing-right-small:1.92%;--awb-spacing-left-small:1.92%;\"><div class=\"fusion-column-wrapper fusion-column-has-shadow fusion-flex-justify-content-flex-start fusion-content-layout-column\"><div class=\"fusion-text fusion-text-5\" style=\"--awb-content-alignment:justify;--awb-font-size:16px;\"><p>Theoretical study of electrocatalytic processes including the Hydrogen Evolution Reaction (HER), Oxygen Evolution Reaction (OER), Oxygen Reduction Reaction (ORR), CO<sub>2<\/sub> reduction (CO<sub>2<\/sub>RR), and nitrogen reduction (NRR) using MXenes, carbides, supported single atoms, and metallic and bimetallic systems as electrocatalysts.<\/p>\n<\/div><\/div><\/div><\/div><\/div>\n<\/div><\/div><\/div><div class=\"fusion-clearfix\"><\/div><\/div>\n<\/article>\n<article id=\"blog-1-post-343\" class=\"fusion-post-grid post-343 post type-post status-publish format-standard has-post-thumbnail hentry category-research-lines\">\n<div class=\"fusion-post-wrapper\" style=\"background-color:rgba(255,255,255,0);border:1px solid #f2f3f5;border-bottom-width:3px;\">\n\n\t\t\t<div class=\"fusion-flexslider flexslider fusion-flexslider-loading fusion-post-slideshow\" style=\"border-color:#f2f3f5;\">\n\t\t<ul class=\"slides\">\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<li><div  class=\"fusion-image-wrapper\" aria-haspopup=\"true\">\n\t\t\t\t<img decoding=\"async\" width=\"1600\" height=\"1600\" src=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/heterogeneous-catalysis-blog.png\" class=\"attachment-full size-full wp-post-image\" alt=\"heterogeneous-catalysis-blog\" srcset=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/heterogeneous-catalysis-blog-200x200.png 200w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/heterogeneous-catalysis-blog-400x400.png 400w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/heterogeneous-catalysis-blog-600x600.png 600w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/heterogeneous-catalysis-blog-800x800.png 800w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/heterogeneous-catalysis-blog-1200x1200.png 1200w, https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/heterogeneous-catalysis-blog.png 1600w\" sizes=\"(min-width: 2200px) 100vw, (min-width: 712px) 580px, (min-width: 640px) 712px, \" \/><div class=\"fusion-rollover\">\n\t<div class=\"fusion-rollover-content\">\n\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"fusion-rollover-link\" href=\"https:\/\/www.ub.edu\/tssc\/heterogeneous-photocatalysis\/\">Heterogeneous catalysis<\/a>\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t<div class=\"fusion-rollover-sep\"><\/div>\n\t\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"fusion-rollover-gallery\" href=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/09\/heterogeneous-catalysis-blog.png\" data-id=\"343\" data-rel=\"iLightbox[gallery]\" data-title=\"heterogeneous-catalysis-blog\" data-caption=\"\">\n\t\t\t\t\t\tGaler\u00eda\t\t\t\t\t<\/a>\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\n\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t<h4 class=\"fusion-rollover-title\">\n\t\t\t\t\t<a class=\"fusion-rollover-title-link\" href=\"https:\/\/www.ub.edu\/tssc\/heterogeneous-photocatalysis\/\">\n\t\t\t\t\t\tHeterogeneous catalysis\t\t\t\t\t<\/a>\n\t\t\t\t<\/h4>\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t<div class=\"fusion-rollover-categories\"><a href=\"https:\/\/www.ub.edu\/tssc\/category\/research-lines\/\" rel=\"tag\">Research Lines<\/a><\/div>\t\t\t\t\t\n\t\t\n\t\t\t\t\t\t<a class=\"fusion-link-wrapper\" href=\"https:\/\/www.ub.edu\/tssc\/heterogeneous-photocatalysis\/\" aria-label=\"Heterogeneous catalysis\"><\/a>\n\t<\/div>\n<\/div>\n<\/div>\n<\/li>\n\t\t\t\n\t\t\t\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/ul>\n\t<\/div>\n\t<div class=\"fusion-post-content-wrapper\" style=\"padding:30px 25px 25px 25px;\"><div class=\"fusion-post-content post-content\"><h1 class=\"blog-shortcode-post-title entry-title\"><a href=\"https:\/\/www.ub.edu\/tssc\/heterogeneous-photocatalysis\/\">Heterogeneous catalysis<\/a><\/h1><div class=\"fusion-post-content-container\"><div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-3-4 fusion-flex-container has-pattern-background has-mask-background nonhundred-percent-fullwidth non-hundred-percent-height-scrolling\" style=\"--awb-border-radius-top-left:0px;--awb-border-radius-top-right:0px;--awb-border-radius-bottom-right:0px;--awb-border-radius-bottom-left:0px;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-flex-start fusion-flex-content-wrap\" style=\"width:104% !important;max-width:104% !important;margin-left: calc(-4% \/ 2 );margin-right: calc(-4% \/ 2 );\"><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-6 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-bg-size:cover;--awb-width-large:100%;--awb-margin-top-large:0px;--awb-spacing-right-large:1.92%;--awb-margin-bottom-large:20px;--awb-spacing-left-large:1.92%;--awb-width-medium:100%;--awb-order-medium:0;--awb-spacing-right-medium:1.92%;--awb-spacing-left-medium:1.92%;--awb-width-small:100%;--awb-order-small:0;--awb-spacing-right-small:1.92%;--awb-spacing-left-small:1.92%;\"><div class=\"fusion-column-wrapper fusion-column-has-shadow fusion-flex-justify-content-flex-start fusion-content-layout-column\"><div class=\"fusion-text fusion-text-6\" style=\"--awb-content-alignment:justify;--awb-font-size:16px;\"><p>Theoretical and computational study of heterogeneously catalyzed processes using density functional theory-based calculations complemented with multiscale analysis using microkinetic and kinetic Monte Carlo simulations. The systems of interest include bulk carbides either as catalysts or supports and increasingly focus on two-dimensional (MXenes) carbides\/nitrides as catalysts for the capture and transformation of CO<sub>2<\/sub> into other useful chemicals (CO, CH<sub>4<\/sub>, CH<sub>3<\/sub>OH, and also C<sub>2<\/sub> compounds such as ethanol). Other systems of interest are metal surfaces and nanoparticles, including bimetallic systems.<\/p>\n<\/div><\/div><\/div><\/div><\/div>\n<\/div><\/div><\/div><div class=\"fusion-clearfix\"><\/div><\/div>\n<\/article>\n<div class=\"fusion-clearfix\"><\/div><\/div><\/div><\/div><\/div><\/div><\/div><\/p>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"100-width.php","meta":{"footnotes":""},"class_list":["post-337","page","type-page","status-publish","hentry"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.6 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Research Lines - Theoretical Surface Science &amp; Catalysis<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.ub.edu\/tssc\/research-lines\/\" \/>\n<meta property=\"og:locale\" content=\"es_ES\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Research Lines - Theoretical Surface Science &amp; 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