{"668575":{"#nid":"668575","#data":{"type":"event","title":"Colloquium Seminar - Prof. Jesse McDaniel (Georgia Institute of Technology)","body":[{"value":"\u003Cp\u003ETopic:\u0026nbsp;\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003EElectrochemical Interfaces: Chemical Reactions and Physical Properties\u0026nbsp;\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cspan\u003E\u003Cspan\u003E\u003Cstrong\u003E\u003Cspan\u003E\u003Cspan\u003EAbstract\u003C\/span\u003E\u003C\/span\u003E\u003C\/strong\u003E\u003Cspan\u003E\u003Cspan\u003E:\u003C\/span\u003E\u003C\/span\u003E\u0026nbsp;\u003Cspan\u003E\u003Cspan\u003E\u0026nbsp;Chemical and physical transformations at electrochemical interfaces are fundamental to electrocatalysis,\u003C\/span\u003E\u003C\/span\u003E\u0026nbsp;\u003Cspan\u003E\u003Cspan\u003Eelectrosynthesis, and electrochemical energy storage technologies.\u003C\/span\u003E\u003C\/span\u003E\u0026nbsp;\u003Cspan\u003E\u003Cspan\u003E\u0026nbsp;\u0026nbsp;Complexity results from these chemical and physical processes often being coupled, with redox and chemical reactions modulated by the electrical double layer at the heterogeneous electrode\/electrolyte interface.\u0026nbsp;\u003C\/span\u003E\u003C\/span\u003E\u0026nbsp;\u003Cspan\u003E\u003Cspan\u003EWe will discuss our recent efforts at developing and applying computational techniques to understand both chemical and physical processes at electrochemical interfaces.\u0026nbsp;\u003C\/span\u003E\u003C\/span\u003E\u0026nbsp;\u003Cspan\u003E\u003Cspan\u003EWe will present an electrosynthesis case study of an anodic olefin coupling reaction for which we predict significant reaction selectivity modulation from the electrical double layer, and demonstrate how choice of electrolyte alters product selectivity.\u0026nbsp;\u003C\/span\u003E\u003C\/span\u003E\u0026nbsp;\u003Cspan\u003E\u003Cspan\u003EWe will then discuss our efforts to understand the physical properties of \u201cmodern\u201d electrochemical double layers consisting of ionic liquids and\/or concentrated organic electrolytes, comparing and contrasting with prototypical aqueous electrolyte systems.\u0026nbsp;\u003C\/span\u003E\u003C\/span\u003E\u0026nbsp;\u003Cspan\u003E\u003Cspan\u003EThroughout the seminar, we will discuss computational electrochemistry methods and software that we have developed to study these systems, including Fixed-Voltage QM\/MM and physics-based\/neural network reactive force field methodologies.\u0026nbsp;\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/span\u003E\u003C\/p\u003E\r\n","summary":"","format":"limited_html"}],"field_subtitle":"","field_summary":[{"value":"\u003Cp\u003EA seminar on electrochemical interfaces; chemical and physical transformations.\u003C\/p\u003E\r\n","format":"limited_html"}],"field_summary_sentence":[{"value":"School of Chemistry \u0026 Biochemistry - Colloquium Seminar with Professor Jesse McDaniel (Georgia Institute of Technology)"}],"uid":"36441","created_gmt":"2023-07-25 14:09:26","changed_gmt":"2023-08-28 21:20:00","author":"slawrence67","boilerplate_text":"","field_publication":"","field_article_url":"","field_event_time":{"event_time_start":"2023-09-07T15:30:00-04:00","event_time_end":"2023-09-07T16:30:00-04:00","event_time_end_last":"2023-09-07T16:30:00-04:00","gmt_time_start":"2023-09-07 19:30:00","gmt_time_end":"2023-09-07 20:30:00","gmt_time_end_last":"2023-09-07 20:30:00","rrule":null,"timezone":"America\/New_York"},"location":"MoSE - G011","extras":[],"groups":[{"id":"85951","name":"School of Chemistry and Biochemistry"}],"categories":[],"keywords":[],"core_research_areas":[],"news_room_topics":[],"event_categories":[{"id":"1795","name":"Seminar\/Lecture\/Colloquium"}],"invited_audience":[{"id":"78761","name":"Faculty\/Staff"},{"id":"177814","name":"Postdoc"},{"id":"174045","name":"Graduate students"}],"affiliations":[],"classification":[],"areas_of_expertise":[],"news_and_recent_appearances":[],"phone":[],"contact":[{"value":"\u003Cp\u003E\u003Cstrong\u003EHost\u003C\/strong\u003E: Prof. David Sherrill\u003C\/p\u003E\r\n\r\n\u003Cp\u003Esherrill@chemistry.gatech.edu\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n","format":"limited_html"}],"email":[],"slides":[],"orientation":[],"userdata":""}}}