{"product_id":"atomic-scale-modelling-electrochemical-systems-tomi-laurila-2021-hc-chemistry","title":"Atomic Scale Modelling Electrochemical Systems Tomi Laurila 2021 HC Chemistry","description":"\u003cspan class=\"a-text-bold\" style=\"box-sizing: border-box; color: rgb(15, 17, 17); font-family: \" amazon ember arial sans-serif font-weight:=\"\"\u003e\u003cfont size=\"4\"\u003eAtomic-Scale Modelling of Electrochemical Systems\u003c\/font\u003e\u003c\/span\u003e\u003cp style=\"box-sizing: border-box; padding: 0px; margin: 0px 0px 14px; color: rgb(15, 17, 17); font-family: \" amazon ember arial sans-serif\u003e\u003cspan style=\"box-sizing: border-box;\"\u003e\u003cfont size=\"4\"\u003eA comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field\u003c\/font\u003e\u003c\/span\u003e\u003c\/p\u003e\u003cp style=\"box-sizing: border-box; padding: 0px; margin: -4px 0px 14px; color: rgb(15, 17, 17); font-family: \" amazon ember arial sans-serif\u003e\u003cspan style=\"box-sizing: border-box;\"\u003e\u003cfont size=\"4\"\u003eThe first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry.\u003c\/font\u003e\u003c\/span\u003e\u003c\/p\u003e\u003cp style=\"box-sizing: border-box; padding: 0px; margin: -4px 0px 14px; color: rgb(15, 17, 17); font-family: \" amazon ember arial sans-serif\u003e\u003cfont size=\"4\"\u003e\u003cspan class=\"a-text-italic\" style=\"box-sizing: border-box; font-style: italic !important;\"\u003eAtomic-Scale Modelling of Electrochemical Systems\u003c\/span\u003e\u003cspan style=\"box-sizing: border-box;\"\u003e discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and\/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance.\u003c\/span\u003e\u003c\/font\u003e\u003c\/p\u003e\u003cul class=\"a-unordered-list a-vertical\" style=\"box-sizing: border-box; margin: 0px 0px 0px 18px; color: rgb(15, 17, 17); padding: 0px; font-family: \" amazon ember arial sans-serif\u003e\n\u003cli style=\"box-sizing: border-box; list-style: disc; overflow-wrap: break-word; margin: 0px;\"\u003e\u003cspan class=\"a-list-item\" style=\"box-sizing: border-box;\"\u003e\u003cfont size=\"4\"\u003eUniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale\u003c\/font\u003e\u003c\/span\u003e\u003c\/li\u003e\n\u003cli style=\"box-sizing: border-box; list-style: disc; overflow-wrap: break-word; margin: 0px;\"\u003e\u003cspan class=\"a-list-item\" style=\"box-sizing: border-box;\"\u003e\u003cfont size=\"4\"\u003eUses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations\u003c\/font\u003e\u003c\/span\u003e\u003c\/li\u003e\n\u003cli style=\"box-sizing: border-box; list-style: disc; overflow-wrap: break-word; margin: 0px;\"\u003e\u003cspan class=\"a-list-item\" style=\"box-sizing: border-box;\"\u003e\u003cfont size=\"4\"\u003eBridges the gap between experimental electrochemistry and computational atomistic modelling\u003c\/font\u003e\u003c\/span\u003e\u003c\/li\u003e\n\u003c\/ul\u003e\u003cp style=\"box-sizing: border-box; padding: 0px; margin: -4px 0px 14px; color: rgb(15, 17, 17); font-family: \" amazon ember arial sans-serif\u003e\u003c\/p\u003e\u003cp style=\"box-sizing: border-box; padding: 0px; margin: -4px 0px 0px; color: rgb(15, 17, 17); font-family: \" amazon ember arial sans-serif\u003e\u003cspan style=\"box-sizing: border-box;\"\u003e\u003cfont size=\"4\"\u003eWritten by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.\u003c\/font\u003e\u003c\/span\u003e\u003c\/p\u003e","brand":"Pearl Press","offers":[{"title":"Default Title","offer_id":46141025943749,"sku":"OFc40426385","price":222.97,"currency_code":"AUD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0685\/7660\/8453\/files\/57_966da40f-5743-41fb-b319-5497fc9cbbb8.jpg?v=1777452506","url":"https:\/\/pearlpress.com.au\/products\/atomic-scale-modelling-electrochemical-systems-tomi-laurila-2021-hc-chemistry","provider":"Pearl Press","version":"1.0","type":"link"}