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Electrocatalysis - Theory and Experiment at the Interface

Faraday Discussions No 140

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Faraday Discussions No. 140 will bring surface scientists and electrochemists together and foster the development of both in situ spectroscopic methods in electrochemistry and the study of single crystal electrode surfaces. Advances in theoretical methodology: to describe the state of the art and to address what is still missing. Development of spectroscopic techniques: moving from studies of model surfaces to more realistic surfaces and in situ investigations. Electrocatalyst discovery: what can be learned from high throughput screening methods and theoretical calculations? Beyond fuel cells: the future of electrocatalysis. This unique discussion meeting will bring electrochemists, surface scientists and theoreticians together and foster the development of both in situ spectroscopic methods in electrochemistry and theoretical methods which model the electrocatalytic interface.

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The need to develop cleaner/greener methods of both energy production and chemical synthesis has been driving renewed interest in electrocatalysis. Experimental advances in the application of spectroscopic methods such as IR, INS, NMR, and XAS, and structural probes such as STM, AFM, high resolution TEM, and XRD are providing a wealth of data that enable structure/property relationships in electrocatalysis to be investigated. Similarly, developments in theoretical methods (MD simulations, DFT calculations, and Monte Carlo simulations combined with ab initio methodologies) are providing new insights regarding old catalysts and promise to provide direction in the search for new catalysts. The advent of high throughput catalyst preparation methods means that many more electrocatalyst formulations are being screened for an ever-wider variety of reactions. Directing this effort will require the combined efforts of theoretical models and the development of new experimental techniques. FD140 will bring surface scientists and electrochemists together and foster the development of both in situ spectroscopic methods in electrochemistry and the study of single crystal electrode surfaces. Advances in theoretical methodology; to describe the state of the art and to address what is still missing. Development of spectroscopic techniques; moving from studies of model surfaces to more realistic surfaces and in situ investigations. Electrocatalyst discovery; what can be learned from high throughput screening methods and theoretical calculations? Beyond fuel cells; the future of electrocatalysis This unique discussion meeting will bring electrochemists, surface scientists and theoreticians together and foster the development of both in situ spectroscopic methods in electrochemistry and theoretical methods which model the electrocatalytic interface. It will be opened with an introductory lecture by Marc Koper from Leiden University in the Netherlands. Discussion sessions: Structure in Electrocatalysis: from nanoparticles to single crystals Spectroscopy and Electrocatalysis Hydrogen oxidation and oxygen reduction Biological electrocatalysis and alcohols as fuels