{"id":3368,"date":"2024-05-05T07:58:40","date_gmt":"2024-05-05T07:58:40","guid":{"rendered":"https:\/\/tribchem.it\/?page_id=3368"},"modified":"2025-08-08T14:06:30","modified_gmt":"2025-08-08T14:06:30","slug":"adatom-adsorption","status":"publish","type":"page","link":"https:\/\/tribchem.it\/?page_id=3368","title":{"rendered":"Adatom adsorption"},"content":{"rendered":"\t\t
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Adsorption energy<\/strong> and adsorption distance<\/strong> of different atomic species over the most stable surface of several metallic substrates at 25%, 50% and 100% coverages<\/strong>. Empty squares (or with 0 value) indicates when the atomic adsorption is not stable. Bond order<\/strong> and other analyses are also reported as figures.<\/p>\n

The detailed description of the performed calculations can be find here [96<\/span><\/span><\/a>].<\/p>\t\t\t\t\t\t\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

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\n\t\t\t\t\t\t\t\t\t\n\n\n \n \n Adsorption Energy Tables<\/title>\n <style>\n \/* Container principale per le tre tabelle *\/\n .tables-row {\n display: flex;\n gap: 15px;\n width: 100%;\n justify-content: space-between;\n margin: 20px 0;\n }\n\n \/* Ogni tabella occupa 1\/3 dello spazio *\/\n .table-wrapper {\n flex: 1;\n min-width: 0; \/* Permette al flex item di ridursi *\/\n }\n\n .table-container {\n overflow-x: auto;\n width: 100%;\n border: 1px solid #ddd;\n border-radius: 4px;\n }\n\n .dataframe {\n border-collapse: collapse;\n width: 100%;\n font-size: 9px; \/* Font pi\u00f9 piccolo per far stare tutto *\/\n table-layout: fixed; \/* Torna a fixed per controllo preciso *\/\n margin: 0;\n min-width: 250px; \/* Larghezza minima ridotta *\/\n }\n\n .dataframe th,\n .dataframe td {\n padding: 2px 1px; \/* Padding molto ridotto *\/\n text-align: center;\n border: 1px solid #ccc;\n white-space: nowrap;\n overflow: hidden;\n text-overflow: ellipsis;\n font-size: 8px; \/* Font ancora pi\u00f9 piccolo per i dati *\/\n }\n\n .dataframe th {\n background-color: #f5f5f5;\n font-weight: bold;\n font-size: 9px;\n padding: 3px 1px;\n }\n\n \/* Prima colonna (elementi) leggermente pi\u00f9 larga *\/\n .dataframe th:first-child,\n .dataframe td:first-child {\n width: 15%;\n background-color: #f9f9f9;\n font-weight: bold;\n font-size: 9px;\n }\n\n \/* Altre colonne distribuite uniformemente *\/\n .dataframe th:not(:first-child),\n .dataframe td:not(:first-child) {\n width: 10.625%; \/* (100% - 15%) \/ 8 colonne *\/\n }\n\n \/* Titoli delle tabelle *\/\n .table-title {\n margin-bottom: 8px;\n font-weight: bold;\n text-align: center;\n font-size: 16px;\n color: #333;\n background-color: #f0f0f0;\n padding: 5px;\n border-radius: 4px 4px 0 0;\n }\n\n \/* Titolo principale *\/\n .main-title {\n text-align: center;\n color: #000000;\n font-size: 24px;\n margin: 20px 0;\n }\n\n \/* Responsive: su schermi piccoli le tabelle vanno in colonna *\/\n @media (max-width: 1200px) {\n .tables-row {\n flex-direction: column;\n }\n\n .table-wrapper {\n margin-bottom: 20px;\n }\n\n .dataframe {\n font-size: 11px;\n min-width: 400px;\n }\n\n .dataframe th,\n .dataframe td {\n padding: 4px;\n font-size: 10px;\n }\n }\n <\/style>\n<\/head>\n<body>\n <h1 class=\"main-title\">Adsorption energy (eV)<\/h1>\n\n <div class=\"tables-row\">\n <!-- Tabella 25% -->\n <div class=\"table-wrapper\">\n <div class=\"table-title\">25%<\/div>\n <div class=\"table-container\">\n <table class=\"dataframe\">\n <thead>\n <tr>\n <th>Elem<\/th>\n <th>B<\/th>\n <th>C<\/th>\n <th>F<\/th>\n <th>H<\/th>\n <th>N<\/th>\n <th>O<\/th>\n <th>P<\/th>\n <th>S<\/th>\n <\/tr>\n <\/thead>\n <tbody>\n <tr>\n <td>W<\/td>\n <td>-7.80<\/td>\n <td>-9.52<\/td>\n <td>-6.52<\/td>\n <td>-4.47<\/td>\n <td>-8.61<\/td>\n <td>-9.07<\/td>\n <td>-7.40<\/td>\n <td>-7.81<\/td>\n <\/tr>\n <tr>\n <td>Cr<\/td>\n <td>-6.57<\/td>\n <td>-7.07<\/td>\n <td>-2.83<\/td>\n <td>-2.65<\/td>\n <td>-4.78<\/td>\n <td>-4.50<\/td>\n <td>-5.47<\/td>\n <td>-5.07<\/td>\n <\/tr>\n <tr>\n <td>Mo<\/td>\n <td>-5.97<\/td>\n <td>-7.69<\/td>\n <td>-5.21<\/td>\n <td>-2.92<\/td>\n <td>-6.94<\/td>\n <td>-7.51<\/td>\n <td>-5.62<\/td>\n <td>-6.16<\/td>\n <\/tr>\n <tr>\n <td>Fe<\/td>\n <td>-6.47<\/td>\n <td>-8.25<\/td>\n <td>-5.32<\/td>\n <td>-3.29<\/td>\n <td>-6.94<\/td>\n <td>-7.03<\/td>\n <td>-5.76<\/td>\n <td>-6.14<\/td>\n <\/tr>\n <tr>\n <td>Ir<\/td>\n <td>-6.02<\/td>\n <td>-6.84<\/td>\n <td>-3.28<\/td>\n <td>-2.64<\/td>\n <td>-5.03<\/td>\n <td>-4.92<\/td>\n <td>-5.36<\/td>\n <td>-5.19<\/td>\n <\/tr>\n <tr>\n <td>Ni<\/td>\n <td>-5.64<\/td>\n <td>-6.86<\/td>\n <td>-4.26<\/td>\n <td>-2.89<\/td>\n <td>-4.75<\/td>\n <td>-5.86<\/td>\n <td>-4.47<\/td>\n <td>-5.30<\/td>\n <\/tr>\n <tr>\n <td>Ti<\/td>\n <td>-5.75<\/td>\n <td>-8.02<\/td>\n <td>-6.66<\/td>\n <td>-3.46<\/td>\n <td>-8.06<\/td>\n <td>-9.04<\/td>\n <td>-5.62<\/td>\n <td>-6.63<\/td>\n <\/tr>\n <tr>\n <td>Pt<\/td>\n <td>-6.57<\/td>\n <td>-7.07<\/td>\n <td>-2.83<\/td>\n <td>-2.65<\/td>\n <td>-4.78<\/td>\n <td>-4.50<\/td>\n <td>-5.47<\/td>\n <td>-5.08<\/td>\n <\/tr>\n <tr>\n <td>Cu<\/td>\n <td>-4.61<\/td>\n <td>-5.43<\/td>\n <td>-4.61<\/td>\n <td>-2.98<\/td>\n <td>-4.27<\/td>\n <td>-5.22<\/td>\n <td>-4.16<\/td>\n <td>-4.79<\/td>\n <\/tr>\n <tr>\n <td>Al<\/td>\n <td>-4.19<\/td>\n <td>-6.25<\/td>\n <td>-5.09<\/td>\n <td>-2.04<\/td>\n <td>-6.49<\/td>\n <td>-7.72<\/td>\n <td>-4.31<\/td>\n <td>-5.07<\/td>\n <\/tr>\n <tr>\n <td>Ag<\/td>\n <td>-3.29<\/td>\n <td>-3.43<\/td>\n <td>-3.82<\/td>\n <td>-1.92<\/td>\n <td>-2.07<\/td>\n <td>-3.62<\/td>\n <td>-2.72<\/td>\n <td>-3.53<\/td>\n <\/tr>\n <tr>\n <td>Au<\/td>\n <td>-4.54<\/td>\n <td>-4.45<\/td>\n <td>-2.82<\/td>\n <td>-2.20<\/td>\n <td>-0.91<\/td>\n <td>-3.27<\/td>\n <td>-3.44<\/td>\n <td>-3.44<\/td>\n <\/tr>\n <tr>\n <td>Mg<\/td>\n <td>-3.15<\/td>\n <td>0.00<\/td>\n <td>-6.10<\/td>\n <td>-2.34<\/td>\n <td>0.00<\/td>\n <td>-7.40<\/td>\n <td>-3.63<\/td>\n <td>-5.18<\/td>\n <\/tr>\n <tr>\n <td>Zn<\/td>\n <td>-2.60<\/td>\n <td>-3.72<\/td>\n <td>-3.96<\/td>\n <td>-1.67<\/td>\n <td>-3.21<\/td>\n <td>-4.74<\/td>\n <td>-2.51<\/td>\n <td>-3.50<\/td>\n <\/tr>\n <\/tbody>\n <\/table>\n <\/div>\n <\/div>\n\n <!-- Tabella 50% -->\n <div class=\"table-wrapper\">\n <div class=\"table-title\">50%<\/div>\n <div class=\"table-container\">\n <table class=\"dataframe\">\n <thead>\n <tr>\n <th>Elem<\/th>\n <th>B<\/th>\n <th>C<\/th>\n <th>F<\/th>\n <th>H<\/th>\n <th>N<\/th>\n <th>O<\/th>\n <th>P<\/th>\n <th>S<\/th>\n <\/tr>\n <\/thead>\n <tbody>\n <tr>\n <td>W<\/td>\n <td>-5.73<\/td>\n <td>-7.37<\/td>\n <td>-5.48<\/td>\n <td>-3.77<\/td>\n <td>-7.62<\/td>\n <td>-7.86<\/td>\n <td>-5.00<\/td>\n <td>-4.91<\/td>\n <\/tr>\n <tr>\n <td>Cr<\/td>\n <td>-5.22<\/td>\n <td>-5.80<\/td>\n <td>-2.86<\/td>\n <td>-2.71<\/td>\n <td>-4.45<\/td>\n <td>-3.88<\/td>\n <td>-4.06<\/td>\n <td>-3.11<\/td>\n <\/tr>\n <tr>\n <td>Mo<\/td>\n <td>-4.73<\/td>\n <td>-6.47<\/td>\n <td>-4.95<\/td>\n <td>-2.99<\/td>\n <td>-6.69<\/td>\n <td>-6.99<\/td>\n <td>-4.12<\/td>\n <td>-4.10<\/td>\n <\/tr>\n <tr>\n <td>Fe<\/td>\n <td>-4.87<\/td>\n <td>-6.70<\/td>\n <td>-4.64<\/td>\n <td>-3.19<\/td>\n <td>-6.04<\/td>\n <td>-6.01<\/td>\n <td>-3.36<\/td>\n <td>-3.06<\/td>\n <\/tr>\n <tr>\n <td>Ir<\/td>\n <td>-4.83<\/td>\n <td>-5.84<\/td>\n <td>-3.29<\/td>\n <td>-2.64<\/td>\n <td>-4.89<\/td>\n <td>-4.47<\/td>\n <td>-3.88<\/td>\n <td>-3.26<\/td>\n <\/tr>\n <tr>\n <td>Ni<\/td>\n <td>-4.08<\/td>\n <td>-5.16<\/td>\n <td>-3.62<\/td>\n <td>-2.95<\/td>\n <td>-5.03<\/td>\n <td>-4.80<\/td>\n <td>-3.03<\/td>\n <td>-2.54<\/td>\n <\/tr>\n <tr>\n <td>Ti<\/td>\n <td>-4.36<\/td>\n <td>-6.96<\/td>\n <td>-6.43<\/td>\n <td>-3.43<\/td>\n <td>-7.78<\/td>\n <td>-8.51<\/td>\n <td>-4.49<\/td>\n <td>-5.06<\/td>\n <\/tr>\n <tr>\n <td>Pt<\/td>\n <td>-5.22<\/td>\n <td>-5.79<\/td>\n <td>-2.86<\/td>\n <td>-2.71<\/td>\n <td>-4.45<\/td>\n <td>-3.88<\/td>\n <td>-4.06<\/td>\n <td>-3.11<\/td>\n <\/tr>\n <tr>\n <td>Cu<\/td>\n <td>-2.66<\/td>\n <td>-3.37<\/td>\n <td>-3.48<\/td>\n <td>-2.41<\/td>\n <td>-3.27<\/td>\n <td>-3.67<\/td>\n <td>-2.12<\/td>\n <td>-1.98<\/td>\n <\/tr>\n <tr>\n <td>Al<\/td>\n <td>-3.02<\/td>\n <td>-4.97<\/td>\n <td>-5.13<\/td>\n <td>-2.03<\/td>\n <td>-6.37<\/td>\n <td>-7.54<\/td>\n <td>-3.23<\/td>\n <td>-3.28<\/td>\n <\/tr>\n <tr>\n <td>Ag<\/td>\n <td>-2.29<\/td>\n <td>-2.64<\/td>\n <td>-3.45<\/td>\n <td>-2.06<\/td>\n <td>-1.87<\/td>\n <td>-2.91<\/td>\n <td>-2.25<\/td>\n <td>-2.22<\/td>\n <\/tr>\n <tr>\n <td>Au<\/td>\n <td>-3.74<\/td>\n <td>-3.77<\/td>\n <td>-2.59<\/td>\n <td>-2.17<\/td>\n <td>-1.57<\/td>\n <td>-2.72<\/td>\n <td>-2.59<\/td>\n <td>-1.89<\/td>\n <\/tr>\n <tr>\n <td>Mg<\/td>\n <td>-2.41<\/td>\n <td>0.00<\/td>\n <td>-6.00<\/td>\n <td>-2.38<\/td>\n <td>0.00<\/td>\n <td>-7.39<\/td>\n <td>-3.46<\/td>\n <td>-4.11<\/td>\n <\/tr>\n <tr>\n <td>Zn<\/td>\n <td>-1.98<\/td>\n <td>-2.81<\/td>\n <td>-3.67<\/td>\n <td>-1.63<\/td>\n <td>-3.06<\/td>\n <td>-4.24<\/td>\n <td>-1.48<\/td>\n <td>-1.58<\/td>\n <\/tr>\n <\/tbody>\n <\/table>\n <\/div>\n <\/div>\n\n <!-- Tabella 100% -->\n <div class=\"table-wrapper\">\n <div class=\"table-title\">100%<\/div>\n <div class=\"table-container\">\n <table class=\"dataframe\">\n <thead>\n <tr>\n <th>Elem<\/th>\n <th>B<\/th>\n <th>C<\/th>\n <th>F<\/th>\n <th>H<\/th>\n <th>N<\/th>\n <th>O<\/th>\n <th>P<\/th>\n <th>S<\/th>\n <\/tr>\n <\/thead>\n <tbody>\n <tr>\n <td>W<\/td>\n <td>-3.77<\/td>\n <td>-5.64<\/td>\n <td>-4.82<\/td>\n <td>-3.44<\/td>\n <td>-6.86<\/td>\n <td>-6.95<\/td>\n <td>-2.92<\/td>\n <td>-3.11<\/td>\n <\/tr>\n <tr>\n <td>Cr<\/td>\n <td>-3.15<\/td>\n <td>-3.96<\/td>\n <td>-2.01<\/td>\n <td>-2.74<\/td>\n <td>-3.94<\/td>\n <td>-2.83<\/td>\n <td>-1.91<\/td>\n <td>-1.16<\/td>\n <\/tr>\n <tr>\n <td>Mo<\/td>\n <td>-3.35<\/td>\n <td>-5.20<\/td>\n <td>-4.61<\/td>\n <td>-3.05<\/td>\n <td>-6.30<\/td>\n <td>-6.37<\/td>\n <td>-2.45<\/td>\n <td>-2.66<\/td>\n <\/tr>\n <tr>\n <td>Fe<\/td>\n <td>-2.88<\/td>\n <td>-4.50<\/td>\n <td>-3.98<\/td>\n <td>-3.16<\/td>\n <td>-5.29<\/td>\n <td>-4.94<\/td>\n <td>-1.81<\/td>\n <td>-1.40<\/td>\n <\/tr>\n <tr>\n <td>Ir<\/td>\n <td>-3.13<\/td>\n <td>-4.03<\/td>\n <td>-2.37<\/td>\n <td>-2.66<\/td>\n <td>-4.53<\/td>\n <td>-3.52<\/td>\n <td>-1.89<\/td>\n <td>-1.23<\/td>\n <\/tr>\n <tr>\n <td>Ni<\/td>\n <td>-2.37<\/td>\n <td>-2.93<\/td>\n <td>-2.81<\/td>\n <td>-3.05<\/td>\n <td>-3.82<\/td>\n <td>-3.38<\/td>\n <td>-1.41<\/td>\n <td>-0.80<\/td>\n <\/tr>\n <tr>\n <td>Ti<\/td>\n <td>-2.93<\/td>\n <td>-5.40<\/td>\n <td>-6.17<\/td>\n <td>-3.45<\/td>\n <td>-8.76<\/td>\n <td>-7.89<\/td>\n <td>-2.63<\/td>\n <td>-3.42<\/td>\n <\/tr>\n <tr>\n <td>Pt<\/td>\n <td>-3.15<\/td>\n <td>-3.96<\/td>\n <td>-2.00<\/td>\n <td>-2.75<\/td>\n <td>-3.94<\/td>\n <td>-2.83<\/td>\n <td>-1.90<\/td>\n <td>-1.16<\/td>\n <\/tr>\n <tr>\n <td>Cu<\/td>\n <td>-1.48<\/td>\n <td>-1.85<\/td>\n <td>-2.61<\/td>\n <td>-2.49<\/td>\n <td>-2.29<\/td>\n <td>-2.29<\/td>\n <td>-0.86<\/td>\n <td>-0.48<\/td>\n <\/tr>\n <tr>\n <td>Al<\/td>\n <td>-1.85<\/td>\n <td>-3.33<\/td>\n <td>-4.81<\/td>\n <td>-2.04<\/td>\n <td>-7.40<\/td>\n <td>-7.45<\/td>\n <td>-1.31<\/td>\n <td>-1.67<\/td>\n <\/tr>\n <tr>\n <td>Ag<\/td>\n <td>-1.31<\/td>\n <td>-1.80<\/td>\n <td>-2.68<\/td>\n <td>-2.11<\/td>\n <td>-2.28<\/td>\n <td>-1.89<\/td>\n <td>-1.05<\/td>\n <td>-0.98<\/td>\n <\/tr>\n <tr>\n <td>Au<\/td>\n <td>-1.63<\/td>\n <td>-2.29<\/td>\n <td>-2.01<\/td>\n <td>-2.10<\/td>\n <td>-2.71<\/td>\n <td>-1.55<\/td>\n <td>-0.93<\/td>\n <td>-0.55<\/td>\n <\/tr>\n <tr>\n <td>Mg<\/td>\n <td>-1.65<\/td>\n <td>-2.83<\/td>\n <td>-6.15<\/td>\n <td>-2.48<\/td>\n <td>0.00<\/td>\n <td>0.00<\/td>\n <td>-2.00<\/td>\n <td>-2.80<\/td>\n <\/tr>\n <tr>\n <td>Zn<\/td>\n <td>-0.80<\/td>\n <td>-1.34<\/td>\n <td>-3.11<\/td>\n <td>-1.64<\/td>\n <td>-1.90<\/td>\n <td>-2.60<\/td>\n <td>-0.22<\/td>\n <td>-0.23<\/td>\n <\/tr>\n <\/tbody>\n <\/table>\n <\/div>\n <\/div>\n <\/div>\n<\/body>\n<\/html>\t\t\t\t\t\t\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-68d5207 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"68d5207\" data-element_type=\"section\" data-e-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-6a1aac7\" data-id=\"6a1aac7\" data-element_type=\"column\" data-e-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-702de2a elementor-widget elementor-widget-text-editor\" data-id=\"702de2a\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<!DOCTYPE html>\n<html lang=\"eng\">\n<head>\n <meta charset=\"UTF-8\">\n <meta name=\"viewport\" content=\"width=device-width, initial-scale=1.0\">\n <title>Adsorption Distance Tables<\/title>\n <style>\n \/* Container principale per le tre tabelle *\/\n .tables-row {\n display: flex;\n gap: 15px;\n width: 100%;\n justify-content: space-between;\n margin: 20px 0;\n }\n\n \/* Ogni tabella occupa 1\/3 dello spazio *\/\n .table-wrapper {\n flex: 1;\n min-width: 0; \/* Permette al flex item di ridursi *\/\n }\n\n .table-container {\n overflow-x: auto;\n width: 100%;\n border: 1px solid #ddd;\n border-radius: 4px;\n }\n\n .dataframe {\n border-collapse: collapse;\n width: 100%;\n font-size: 9px; \/* Font pi\u00f9 piccolo per far stare tutto *\/\n table-layout: fixed; \/* Torna a fixed per controllo preciso *\/\n margin: 0;\n min-width: 250px; \/* Larghezza minima ridotta *\/\n }\n\n .dataframe th,\n .dataframe td {\n padding: 2px 1px; \/* Padding molto ridotto *\/\n text-align: center;\n border: 1px solid #ccc;\n white-space: nowrap;\n overflow: hidden;\n text-overflow: ellipsis;\n font-size: 8px; \/* Font ancora pi\u00f9 piccolo per i dati *\/\n }\n\n .dataframe th {\n background-color: #f5f5f5;\n font-weight: bold;\n font-size: 9px;\n padding: 3px 1px;\n }\n\n \/* Prima colonna (elementi) leggermente pi\u00f9 larga *\/\n .dataframe th:first-child,\n .dataframe td:first-child {\n width: 15%;\n background-color: #f9f9f9;\n font-weight: bold;\n font-size: 9px;\n }\n\n \/* Altre colonne distribuite uniformemente *\/\n .dataframe th:not(:first-child),\n .dataframe td:not(:first-child) {\n width: 10.625%; \/* (100% - 15%) \/ 8 colonne *\/\n }\n\n \/* Titoli delle tabelle *\/\n .table-title {\n margin-bottom: 8px;\n font-weight: bold;\n text-align: center;\n font-size: 16px;\n color: #333;\n background-color: #f0f0f0;\n padding: 5px;\n border-radius: 4px 4px 0 0;\n }\n\n \/* Titolo principale *\/\n .main-title {\n text-align: center;\n color: #000000;\n font-size: 24px;\n margin: 20px 0;\n }\n\n \/* Responsive: su schermi piccoli le tabelle vanno in colonna *\/\n @media (max-width: 1200px) {\n .tables-row {\n flex-direction: column;\n }\n\n .table-wrapper {\n margin-bottom: 20px;\n }\n\n .dataframe {\n font-size: 11px;\n min-width: 400px;\n }\n\n .dataframe th,\n .dataframe td {\n padding: 4px;\n font-size: 10px;\n }\n }\n <\/style>\n<\/head>\n<body>\n <h1 class=\"main-title\">Adsorption distance (\u00c5)<\/h1>\n\n <div class=\"tables-row\">\n <!-- Tabella 25% -->\n <div class=\"table-wrapper\">\n <div class=\"table-title\">25% (distance)<\/div>\n <div class=\"table-container\">\n <table class=\"dataframe\">\n <thead>\n <tr>\n <th>Elem<\/th>\n <th>B<\/th>\n <th>C<\/th>\n <th>F<\/th>\n <th>H<\/th>\n <th>N<\/th>\n <th>O<\/th>\n <th>P<\/th>\n <th>S<\/th>\n <\/tr>\n <\/thead>\n <tbody>\n <tr>\n <td>W<\/td>\n <td>1.22<\/td>\n <td>1.10<\/td>\n <td>1.55<\/td>\n <td>1.09<\/td>\n <td>1.15<\/td>\n <td>1.22<\/td>\n <td>1.72<\/td>\n <td>1.71<\/td>\n <\/tr>\n <tr>\n <td>Cr<\/td>\n <td>1.18<\/td>\n <td>1.00<\/td>\n <td>1.38<\/td>\n <td>1.04<\/td>\n <td>0.99<\/td>\n <td>1.12<\/td>\n <td>1.63<\/td>\n <td>1.63<\/td>\n <\/tr>\n <tr>\n <td>Mo<\/td>\n <td>1.22<\/td>\n <td>1.07<\/td>\n <td>1.50<\/td>\n <td>1.10<\/td>\n <td>1.12<\/td>\n <td>1.19<\/td>\n <td>1.69<\/td>\n <td>1.70<\/td>\n <\/tr>\n <tr>\n <td>Fe<\/td>\n <td>0.87<\/td>\n <td>0.49<\/td>\n <td>1.40<\/td>\n <td>0.94<\/td>\n <td>0.52<\/td>\n <td>1.08<\/td>\n <td>1.48<\/td>\n <td>1.50<\/td>\n <\/tr>\n <tr>\n <td>Ir<\/td>\n <td>1.22<\/td>\n <td>1.07<\/td>\n <td>1.73<\/td>\n <td>1.02<\/td>\n <td>1.11<\/td>\n <td>1.24<\/td>\n <td>1.69<\/td>\n <td>1.67<\/td>\n <\/tr>\n <tr>\n <td>Ni<\/td>\n <td>1.13<\/td>\n <td>1.00<\/td>\n <td>1.46<\/td>\n <td>0.91<\/td>\n <td>1.01<\/td>\n <td>1.13<\/td>\n <td>1.56<\/td>\n <td>1.56<\/td>\n <\/tr>\n <tr>\n <td>Ti<\/td>\n <td>1.25<\/td>\n <td>0.88<\/td>\n <td>1.36<\/td>\n <td>1.09<\/td>\n <td>0.79<\/td>\n <td>0.97<\/td>\n <td>1.78<\/td>\n <td>1.78<\/td>\n <\/tr>\n <tr>\n <td>Pt<\/td>\n <td>1.09<\/td>\n <td>0.96<\/td>\n <td>1.70<\/td>\n <td>0.89<\/td>\n <td>1.06<\/td>\n <td>1.22<\/td>\n <td>1.58<\/td>\n <td>1.58<\/td>\n <\/tr>\n <tr>\n <td>Cu<\/td>\n <td>1.14<\/td>\n <td>1.01<\/td>\n <td>1.50<\/td>\n <td>0.90<\/td>\n <td>1.03<\/td>\n <td>1.14<\/td>\n <td>1.57<\/td>\n <td>1.63<\/td>\n <\/tr>\n <tr>\n <td>Al<\/td>\n <td>1.17<\/td>\n <td>0.91<\/td>\n <td>1.19<\/td>\n <td>0.92<\/td>\n <td>0.78<\/td>\n <td>0.81<\/td>\n <td>1.65<\/td>\n <td>1.62<\/td>\n <\/tr>\n <tr>\n <td>Ag<\/td>\n <td>1.11<\/td>\n <td>1.04<\/td>\n <td>1.58<\/td>\n <td>0.92<\/td>\n <td>1.11<\/td>\n <td>1.24<\/td>\n <td>1.65<\/td>\n <td>1.72<\/td>\n <\/tr>\n <tr>\n <td>Au<\/td>\n <td>1.06<\/td>\n <td>1.07<\/td>\n <td>1.75<\/td>\n <td>0.83<\/td>\n <td>1.12<\/td>\n <td>1.25<\/td>\n <td>1.64<\/td>\n <td>1.72<\/td>\n <\/tr>\n <tr>\n <td>Mg<\/td>\n <td>1.04<\/td>\n <td>0.00<\/td>\n <td>0.90<\/td>\n <td>0.85<\/td>\n <td>0.00<\/td>\n <td>0.69<\/td>\n <td>1.61<\/td>\n <td>1.59<\/td>\n <\/tr>\n <tr>\n <td>Zn<\/td>\n <td>1.49<\/td>\n <td>1.21<\/td>\n <td>1.56<\/td>\n <td>1.03<\/td>\n <td>1.18<\/td>\n <td>1.21<\/td>\n <td>1.84<\/td>\n <td>1.82<\/td>\n <\/tr>\n <\/tbody>\n <\/table>\n <\/div>\n <\/div>\n\n <!-- Tabella 50% -->\n <div class=\"table-wrapper\">\n <div class=\"table-title\">50% (distance)<\/div>\n <div class=\"table-container\">\n <table class=\"dataframe\">\n <thead>\n <tr>\n <th>Elem<\/th>\n <th>B<\/th>\n <th>C<\/th>\n <th>F<\/th>\n <th>H<\/th>\n <th>N<\/th>\n <th>O<\/th>\n <th>P<\/th>\n <th>S<\/th>\n <\/tr>\n <\/thead>\n <tbody>\n <tr>\n <td>W<\/td>\n <td>1.31<\/td>\n <td>1.18<\/td>\n <td>1.52<\/td>\n <td>1.10<\/td>\n <td>1.10<\/td>\n <td>1.19<\/td>\n <td>1.81<\/td>\n <td>1.71<\/td>\n <\/tr>\n <tr>\n <td>Cr<\/td>\n <td>1.26<\/td>\n <td>1.09<\/td>\n <td>1.34<\/td>\n <td>1.03<\/td>\n <td>1.01<\/td>\n <td>1.09<\/td>\n <td>1.75<\/td>\n <td>1.70<\/td>\n <\/tr>\n <tr>\n <td>Mo<\/td>\n <td>1.30<\/td>\n <td>1.14<\/td>\n <td>1.48<\/td>\n <td>1.09<\/td>\n <td>1.07<\/td>\n <td>1.17<\/td>\n <td>1.80<\/td>\n <td>1.71<\/td>\n <\/tr>\n <tr>\n <td>Fe<\/td>\n <td>0.68<\/td>\n <td>0.30<\/td>\n <td>1.36<\/td>\n <td>0.90<\/td>\n <td>0.95<\/td>\n <td>1.04<\/td>\n <td>1.65<\/td>\n <td>1.59<\/td>\n <\/tr>\n <tr>\n <td>Ir<\/td>\n <td>1.24<\/td>\n <td>1.12<\/td>\n <td>1.97<\/td>\n <td>1.02<\/td>\n <td>1.17<\/td>\n <td>1.27<\/td>\n <td>1.73<\/td>\n <td>1.69<\/td>\n <\/tr>\n <tr>\n <td>Ni<\/td>\n <td>1.19<\/td>\n <td>1.06<\/td>\n <td>1.40<\/td>\n <td>0.90<\/td>\n <td>1.04<\/td>\n <td>1.08<\/td>\n <td>1.66<\/td>\n <td>1.64<\/td>\n <\/tr>\n <tr>\n <td>Ti<\/td>\n <td>1.28<\/td>\n <td>0.88<\/td>\n <td>1.29<\/td>\n <td>1.07<\/td>\n <td>0.78<\/td>\n <td>0.99<\/td>\n <td>1.86<\/td>\n <td>1.72<\/td>\n <\/tr>\n <tr>\n <td>Pt<\/td>\n <td>1.13<\/td>\n <td>1.06<\/td>\n <td>1.99<\/td>\n <td>0.90<\/td>\n <td>1.11<\/td>\n <td>1.18<\/td>\n <td>1.64<\/td>\n <td>1.63<\/td>\n <\/tr>\n <tr>\n <td>Cu<\/td>\n <td>1.31<\/td>\n <td>1.14<\/td>\n <td>1.41<\/td>\n <td>0.89<\/td>\n <td>1.04<\/td>\n <td>1.09<\/td>\n <td>1.78<\/td>\n <td>1.76<\/td>\n <\/tr>\n <tr>\n <td>Al<\/td>\n <td>1.26<\/td>\n <td>0.89<\/td>\n <td>1.62<\/td>\n <td>0.95<\/td>\n <td>0.59<\/td>\n <td>0.75<\/td>\n <td>1.72<\/td>\n <td>1.58<\/td>\n <\/tr>\n <tr>\n <td>Ag<\/td>\n <td>1.28<\/td>\n <td>1.11<\/td>\n <td>1.51<\/td>\n <td>0.88<\/td>\n <td>1.08<\/td>\n <td>1.20<\/td>\n <td>1.83<\/td>\n <td>1.82<\/td>\n <\/tr>\n <tr>\n <td>Au<\/td>\n <td>0.56<\/td>\n <td>0.85<\/td>\n <td>1.66<\/td>\n <td>0.84<\/td>\n <td>1.08<\/td>\n <td>1.07<\/td>\n <td>1.50<\/td>\n <td>1.81<\/td>\n <\/tr>\n <tr>\n <td>Mg<\/td>\n <td>1.11<\/td>\n <td>0.00<\/td>\n <td>0.89<\/td>\n <td>0.85<\/td>\n <td>0.00<\/td>\n <td>0.44<\/td>\n <td>1.70<\/td>\n <td>1.53<\/td>\n <\/tr>\n <tr>\n <td>Zn<\/td>\n <td>0.82<\/td>\n <td>0.93<\/td>\n <td>1.42<\/td>\n <td>1.03<\/td>\n <td>0.98<\/td>\n <td>0.90<\/td>\n <td>1.78<\/td>\n <td>1.87<\/td>\n <\/tr>\n <\/tbody>\n <\/table>\n <\/div>\n <\/div>\n\n <!-- Tabella 100% -->\n <div class=\"table-wrapper\">\n <div class=\"table-title\">100% (distance)<\/div>\n <div class=\"table-container\">\n <table class=\"dataframe\">\n <thead>\n <tr>\n <th>Elem<\/th>\n <th>B<\/th>\n <th>C<\/th>\n <th>F<\/th>\n <th>H<\/th>\n <th>N<\/th>\n <th>O<\/th>\n <th>P<\/th>\n <th>S<\/th>\n <\/tr>\n <\/thead>\n <tbody>\n <tr>\n <td>W<\/td>\n <td>1.41<\/td>\n <td>1.06<\/td>\n <td>1.56<\/td>\n <td>1.10<\/td>\n <td>1.08<\/td>\n <td>1.21<\/td>\n <td>1.94<\/td>\n <td>1.69<\/td>\n <\/tr>\n <tr>\n <td>Cr<\/td>\n <td>1.34<\/td>\n <td>1.00<\/td>\n <td>1.36<\/td>\n <td>1.01<\/td>\n <td>0.97<\/td>\n <td>1.10<\/td>\n <td>1.89<\/td>\n <td>1.66<\/td>\n <\/tr>\n <tr>\n <td>Mo<\/td>\n <td>1.36<\/td>\n <td>1.03<\/td>\n <td>1.50<\/td>\n <td>1.08<\/td>\n <td>1.02<\/td>\n <td>1.18<\/td>\n <td>1.92<\/td>\n <td>1.68<\/td>\n <\/tr>\n <tr>\n <td>Fe<\/td>\n <td>1.17<\/td>\n <td>0.85<\/td>\n <td>1.34<\/td>\n <td>0.88<\/td>\n <td>0.86<\/td>\n <td>1.03<\/td>\n <td>1.82<\/td>\n <td>1.61<\/td>\n <\/tr>\n <tr>\n <td>Ir<\/td>\n <td>1.31<\/td>\n <td>1.22<\/td>\n <td>1.69<\/td>\n <td>1.04<\/td>\n <td>1.25<\/td>\n <td>1.27<\/td>\n <td>1.84<\/td>\n <td>1.84<\/td>\n <\/tr>\n <tr>\n <td>Ni<\/td>\n <td>1.38<\/td>\n <td>1.16<\/td>\n <td>1.36<\/td>\n <td>0.86<\/td>\n <td>1.11<\/td>\n <td>1.11<\/td>\n <td>1.80<\/td>\n <td>1.75<\/td>\n <\/tr>\n <tr>\n <td>Ti<\/td>\n <td>1.50<\/td>\n <td>0.86<\/td>\n <td>1.26<\/td>\n <td>1.02<\/td>\n <td>0.75<\/td>\n <td>0.87<\/td>\n <td>2.02<\/td>\n <td>1.67<\/td>\n <\/tr>\n <tr>\n <td>Pt<\/td>\n <td>1.16<\/td>\n <td>1.11<\/td>\n <td>1.65<\/td>\n <td>0.91<\/td>\n <td>1.16<\/td>\n <td>1.24<\/td>\n <td>1.82<\/td>\n <td>1.84<\/td>\n <\/tr>\n <tr>\n <td>Cu<\/td>\n <td>1.53<\/td>\n <td>1.39<\/td>\n <td>1.35<\/td>\n <td>0.84<\/td>\n <td>1.21<\/td>\n <td>1.21<\/td>\n <td>2.01<\/td>\n <td>2.05<\/td>\n <\/tr>\n <tr>\n <td>Al<\/td>\n <td>1.50<\/td>\n <td>1.08<\/td>\n <td>1.26<\/td>\n <td>1.02<\/td>\n <td>0.26<\/td>\n <td>0.72<\/td>\n <td>1.93<\/td>\n <td>1.62<\/td>\n <\/tr>\n <tr>\n <td>Ag<\/td>\n <td>1.51<\/td>\n <td>1.37<\/td>\n <td>1.46<\/td>\n <td>0.81<\/td>\n <td>1.22<\/td>\n <td>1.34<\/td>\n <td>2.08<\/td>\n <td>2.13<\/td>\n <\/tr>\n <tr>\n <td>Au<\/td>\n <td>1.37<\/td>\n <td>1.30<\/td>\n <td>1.61<\/td>\n <td>0.87<\/td>\n <td>1.24<\/td>\n <td>1.42<\/td>\n <td>2.07<\/td>\n <td>2.20<\/td>\n <\/tr>\n <tr>\n <td>Mg<\/td>\n <td>1.58<\/td>\n <td>1.10<\/td>\n <td>0.92<\/td>\n <td>0.84<\/td>\n <td>0.00<\/td>\n <td>0.00<\/td>\n <td>1.87<\/td>\n <td>1.53<\/td>\n <\/tr>\n <tr>\n <td>Zn<\/td>\n <td>1.86<\/td>\n <td>1.59<\/td>\n <td>1.35<\/td>\n <td>1.06<\/td>\n <td>1.34<\/td>\n <td>1.15<\/td>\n <td>2.34<\/td>\n <td>2.71<\/td>\n <\/tr>\n <\/tbody>\n <\/table>\n <\/div>\n <\/div>\n <\/div>\n<\/body>\n<\/html>\t\t\t\t\t\t\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-8b70d77 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8b70d77\" data-element_type=\"section\" data-e-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-d3fb003\" data-id=\"d3fb003\" data-element_type=\"column\" data-e-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-da0bd84 elementor-widget elementor-widget-text-editor\" data-id=\"da0bd84\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<p style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">Panel A: Maximum absolute value of the Adsorption Energy (E<sub>ads<\/sub><span style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">) for each substrate considered with respect to the coverage. The adatom for which the Maximum Adsorption Energy is obtained is specified in the label above the data-point.<\/span><\/p><p style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">Panel B: Minimum absolute value of E<sub>ads<\/sub><span style=\"font-family: verdana, geneva, sans-serif; color: #000000;\"> for each substrate considered with respect to the coverage. The adatom for which the Minimum Adsorption Energy is obtained is specified in the label above the data-point.<\/span><\/p><p style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">Panel C: Average difference in Adsorption Energy between different coverage for all the adatoms considered.<\/p><p style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">Panel D: Average change in distance from the substrate between different coverage for all the adatoms considered.<\/p><p style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">Panel E: Average change in Bond Order between adatoms considering different coverage.<\/p><p style=\"font-family: verdana, geneva, sans-serif; color: #000000;\">Panel F: Average change in Bond Order between adatoms and the substrate considering different coverage.<\/p>\t\t\t\t\t\t\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-7ae912a elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"7ae912a\" data-element_type=\"section\" data-e-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-221ad13\" data-id=\"221ad13\" data-element_type=\"column\" data-e-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-c59244f elementor-widget elementor-widget-text-editor\" data-id=\"c59244f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t<img fetchpriority=\"high\" decoding=\"async\" class=\"alignnone size-full wp-image-3379\" src=\"https:\/\/tribchem.it\/wp-content\/uploads\/2024\/05\/1-s2.0-S0169433224008900-gr3_lrg-scaled.jpg\" alt=\"\" width=\"2560\" height=\"1072\" srcset=\"https:\/\/tribchem.it\/wp-content\/uploads\/2024\/05\/1-s2.0-S0169433224008900-gr3_lrg-scaled.jpg 2560w, https:\/\/tribchem.it\/wp-content\/uploads\/2024\/05\/1-s2.0-S0169433224008900-gr3_lrg-300x126.jpg 300w, https:\/\/tribchem.it\/wp-content\/uploads\/2024\/05\/1-s2.0-S0169433224008900-gr3_lrg-1024x429.jpg 1024w, https:\/\/tribchem.it\/wp-content\/uploads\/2024\/05\/1-s2.0-S0169433224008900-gr3_lrg-768x322.jpg 768w, https:\/\/tribchem.it\/wp-content\/uploads\/2024\/05\/1-s2.0-S0169433224008900-gr3_lrg-1536x643.jpg 1536w, https:\/\/tribchem.it\/wp-content\/uploads\/2024\/05\/1-s2.0-S0169433224008900-gr3_lrg-2048x858.jpg 2048w, https:\/\/tribchem.it\/wp-content\/uploads\/2024\/05\/1-s2.0-S0169433224008900-gr3_lrg-1920x804.jpg 1920w\" sizes=\"(max-width: 2560px) 100vw, 2560px\" \/>\t\t\t\t\t\t\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>Adsorption energy and adsorption distance of different atomic species over the most stable surface of several metallic substrates at 25%, 50% and 100% coverages. Empty squares (or with 0 value) indicates when the atomic adsorption is not stable. Bond order and other analyses are also reported as figures. The detailed description of the performed calculations… <br \/> <a class=\"read-more\" href=\"https:\/\/tribchem.it\/?page_id=3368\">Read more<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"class_list":["post-3368","page","type-page","status-publish","hentry"],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/pages\/3368","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/tribchem.it\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=3368"}],"version-history":[{"count":28,"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/pages\/3368\/revisions"}],"predecessor-version":[{"id":4013,"href":"https:\/\/tribchem.it\/index.php?rest_route=\/wp\/v2\/pages\/3368\/revisions\/4013"}],"wp:attachment":[{"href":"https:\/\/tribchem.it\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=3368"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}