{"id":18,"date":"2023-07-07T15:03:43","date_gmt":"2023-07-07T15:03:43","guid":{"rendered":"https:\/\/ub.edu\/tssc\/?page_id=18"},"modified":"2024-03-14T10:00:24","modified_gmt":"2024-03-14T10:00:24","slug":"home-applied-computational-chemistry-modelings-group","status":"publish","type":"page","link":"https:\/\/www.ub.edu\/tssc\/","title":{"rendered":"Home"},"content":{"rendered":"<p><div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-1 fusion-flex-container has-pattern-background has-mask-background fusion-parallax-none hundred-percent-fullwidth non-hundred-percent-height-scrolling\" style=\"--awb-background-blend-mode:overlay;--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-min-height:250px;--awb-background-image:url(&quot;https:\/\/ub.edu\/tssc\/wp-content\/uploads\/2023\/07\/background-home.jpg&quot;);--awb-background-size:cover;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-center fusion-flex-justify-content-center 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-0 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-title title fusion-title-1 fusion-sep-none fusion-title-center fusion-title-text fusion-title-size-one\" style=\"--awb-font-size:40px;\"><h1 class=\"fusion-title-heading title-heading-center\" style=\"font-family:&quot;Lato&quot;;font-style:normal;font-weight:700;margin:0;font-size:1em;\">Theoretical Surface Science &amp; Catalysis<\/h1><\/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-padding-top:50px;--awb-padding-bottom:50px;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-center fusion-flex-justify-content-center 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%;\" 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-content-alignment:center;--awb-font-size:18px;\"><p>Greenhouse gas emissions create severe problems for the environmental and public health, such as global warming and climate change. Our challenge as society is to exploit alternative energy sources. TSSC aims at investigating surface chemical activity and catalytic capabilities of different materials exploring heterogeneous catalysis, electro- and photo-catalysis with implications in energy and environment.<\/p>\n<\/div><\/div><\/div><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 style=\"text-align:center;\"><a class=\"fusion-button button-flat fusion-button-default-size button-default fusion-button-default button-1 fusion-button-default-span fusion-button-default-type\" target=\"_self\" data-hover=\"icon_slide\"><span class=\"fusion-button-text\">Know +<\/span><i class=\"fa-chevron-right fas button-icon-right\" aria-hidden=\"true\"><\/i><\/a><\/div><\/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-padding-top:40px;--awb-padding-bottom:40px;--awb-background-color:#f4f4f4;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-flex-start fusion-flex-align-content-center 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-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%;\" 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-title title fusion-title-2 fusion-sep-none fusion-title-text fusion-title-size-three\"><h3 class=\"fusion-title-heading title-heading-left\" style=\"margin:0;\"><strong>Lines of research<\/strong><\/h3><\/div><div class=\"fusion-separator\" style=\"align-self: center;margin-left: auto;margin-right: auto;width:100%;max-width:100vw;\"><div class=\"fusion-separator-border sep-single sep-solid\" style=\"--awb-height:20px;--awb-amount:20px;--awb-sep-color:#000000;border-color:#000000;border-top-width:1px;\"><\/div><\/div><\/div><\/div><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-content-boxes content-boxes columns row fusion-columns-4 fusion-columns-total-4 fusion-content-boxes-1 content-boxes-icon-on-top content-left\" style=\"--awb-hover-accent-color:var(--awb-color4);--awb-circle-hover-accent-color:var(--awb-color4);\" data-animationOffset=\"top-into-view\"><div style=\"--awb-backgroundcolor:rgba(255,255,255,0);\" class=\"fusion-column content-box-column content-box-column content-box-column-1 col-lg-3 col-md-3 col-sm-3 fusion-content-box-hover content-box-column-first-in-row\"><div class=\"col content-box-wrapper content-wrapper link-area-box link-type-button content-icon-wrapper-yes icon-hover-animation-fade\" data-link=\"https:\/\/ub.edu\/tssc\/design-of-nanostructures\/\" data-link-target=\"_self\" data-animationOffset=\"top-into-view\"><div class=\"heading heading-with-icon icon-left\"><a class=\"heading-link\" style=\"width: 100%;\" href=\"https:\/\/ub.edu\/tssc\/design-of-nanostructures\/\" target=\"_self\"><div aria-hidden=\"true\" class=\"image\"><img decoding=\"async\" src=\"https:\/\/ub.edu\/tssc\/wp-content\/uploads\/2023\/10\/nanostructures.jpg\" width=\"500\" height=\"500\" alt=\"nanostructures\" \/><\/div><h2 class=\"content-box-heading\" style=\"--h2_typography-font-size:18px;line-height:23px;\">Design of nanostructures<\/h2><\/a><\/div><div class=\"fusion-clearfix\"><\/div><a class=\"fusion-read-more-button fusion-content-box-button fusion-button button-default fusion-button-default-size button- button-flat\" style=\"width: 100%;\" href=\"https:\/\/ub.edu\/tssc\/design-of-nanostructures\/\" target=\"_self\"><span class=\"fusion-button-text\">Read More<\/span><\/a><div class=\"fusion-clearfix\"><\/div><\/div><\/div><div style=\"--awb-backgroundcolor:rgba(255,255,255,0);\" class=\"fusion-column content-box-column content-box-column content-box-column-2 col-lg-3 col-md-3 col-sm-3 fusion-content-box-hover \"><div class=\"col content-box-wrapper content-wrapper link-area-box link-type-button content-icon-wrapper-yes icon-hover-animation-fade\" data-link=\"\/photocatalysis\/\" data-link-target=\"_self\" data-animationOffset=\"top-into-view\"><div class=\"heading heading-with-icon icon-left\"><a class=\"heading-link\" style=\"width: 100%;\" href=\"\/photocatalysis\/\" target=\"_self\"><div aria-hidden=\"true\" class=\"image\"><img decoding=\"async\" src=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2024\/03\/graphical_abstract-v2-e1709558070694-200x235.png\" width=\"238\" height=\"279.65\" alt=\"\" \/><\/div><h2 class=\"content-box-heading\" style=\"--h2_typography-font-size:18px;line-height:23px;\">Photocatalysis<\/h2><\/a><\/div><div class=\"fusion-clearfix\"><\/div><a class=\"fusion-read-more-button fusion-content-box-button fusion-button button-default fusion-button-default-size button- button-flat\" style=\"width: 100%;\" href=\"\/photocatalysis\/\" target=\"_self\"><span class=\"fusion-button-text\">Read More<\/span><\/a><div class=\"fusion-clearfix\"><\/div><\/div><\/div><div style=\"--awb-backgroundcolor:rgba(255,255,255,0);\" class=\"fusion-column content-box-column content-box-column content-box-column-3 col-lg-3 col-md-3 col-sm-3 fusion-content-box-hover \"><div class=\"col content-box-wrapper content-wrapper link-area-box link-type-button content-icon-wrapper-yes icon-hover-animation-fade\" data-link=\"\/electrocatalysis\/\" data-link-target=\"_self\" data-animationOffset=\"top-into-view\"><div class=\"heading heading-with-icon icon-left\"><a class=\"heading-link\" style=\"width: 100%;\" href=\"\/electrocatalysis\/\" target=\"_self\"><div aria-hidden=\"true\" class=\"image\"><img decoding=\"async\" src=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/10\/Nanoscale_Adv_page-0001-e1709558432677-200x241.jpg\" width=\"234\" height=\"281.97\" alt=\"\" \/><\/div><h2 class=\"content-box-heading\" style=\"--h2_typography-font-size:18px;line-height:23px;\">Electrocatalysis<\/h2><\/a><\/div><div class=\"fusion-clearfix\"><\/div><a class=\"fusion-read-more-button fusion-content-box-button fusion-button button-default fusion-button-default-size button- button-flat\" style=\"width: 100%;\" href=\"\/electrocatalysis\/\" target=\"_self\"><span class=\"fusion-button-text\">Read More<\/span><\/a><div class=\"fusion-clearfix\"><\/div><\/div><\/div><div style=\"--awb-backgroundcolor:rgba(255,255,255,0);\" class=\"fusion-column content-box-column content-box-column content-box-column-4 col-lg-3 col-md-3 col-sm-3 fusion-content-box-hover content-box-column-last content-box-column-last-in-row\"><div class=\"col content-box-wrapper content-wrapper link-area-box link-type-button content-icon-wrapper-yes icon-hover-animation-fade\" data-link=\"https:\/\/ub.edu\/tssc\/heterogeneous-photocatalysis\/\" data-link-target=\"_self\" data-animationOffset=\"top-into-view\"><div class=\"heading heading-with-icon icon-left\"><a class=\"heading-link\" style=\"width: 100%;\" href=\"https:\/\/ub.edu\/tssc\/heterogeneous-photocatalysis\/\" target=\"_self\"><div aria-hidden=\"true\" class=\"image\"><img decoding=\"async\" src=\"https:\/\/www.ub.edu\/tssc\/wp-content\/uploads\/2023\/10\/Advcd-Theory-and-Sims_page-0001-e1709559326603-200x255.jpg\" width=\"222\" height=\"283.05\" alt=\"How does thickness affect magnetic coupling in Ti-based MXenes\" \/><\/div><h2 class=\"content-box-heading\" style=\"--h2_typography-font-size:18px;line-height:23px;\">Heterogeneous catalysis<\/h2><\/a><\/div><div class=\"fusion-clearfix\"><\/div><a class=\"fusion-read-more-button fusion-content-box-button fusion-button button-default fusion-button-default-size button- button-flat\" style=\"width: 100%;\" href=\"https:\/\/ub.edu\/tssc\/heterogeneous-photocatalysis\/\" target=\"_self\"><span class=\"fusion-button-text\">Read More<\/span><\/a><div class=\"fusion-clearfix\"><\/div><\/div><\/div><div class=\"fusion-clearfix\"><\/div><\/div><\/div><\/div><\/div><\/div><div class=\"fusion-fullwidth fullwidth-box fusion-builder-row-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-padding-top:40px;--awb-padding-bottom:40px;--awb-flex-wrap:wrap;\" ><div class=\"fusion-builder-row fusion-row fusion-flex-align-items-center 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-5 fusion_builder_column_1_1 1_1 fusion-flex-column\" style=\"--awb-padding-bottom:40px;--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%;\" 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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-title title fusion-title-3 fusion-sep-none fusion-title-text fusion-title-size-three\"><h3 class=\"fusion-title-heading title-heading-left\" style=\"margin:0;\"><strong>Last Activity<\/strong><\/h3><\/div><div class=\"fusion-separator\" style=\"align-self: center;margin-left: auto;margin-right: auto;width:100%;max-width:100vw;\"><div class=\"fusion-separator-border sep-single sep-solid\" style=\"--awb-height:20px;--awb-amount:20px;--awb-sep-color:#000000;border-color:#000000;border-top-width:1px;\"><\/div><\/div><\/div><\/div><div class=\"fusion-layout-column fusion_builder_column fusion-builder-column-6 fusion_builder_column_1_2 1_2 fusion-flex-column\" 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