Regensburg 2019 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 36: Frontiers of Electronic-Structure Theory: Focus on the Interface Challenge V (joint session O/CPP/DS/TT)

Mittwoch, 3. April 2019, 10:30–13:15, H9

10:30 CPP 36.1 Topical Talk: Theoretical Investigations of Electrochemical CO2 Reduction — •Karen Chan
11:00 CPP 36.2 Topical Talk: First-principles approach to model electrochemical reactions at the solid-liquid interface — •Mira Todorova, Sudarsan Surendralal, and Jörg Neugebauer
11:30 CPP 36.3 Towards out of the box implicit solvation at liquid-liquid interfaces — •Jakob Filser, Markus Sinstein, Christoph Scheurer, Sebastian Matera, Karsten Reuter, and Harald Oberhofer
11:45 CPP 36.4 Continuum models of the electrochemical diffuse layer in electronic-structure calculations — •Francesco Nattino, Oliviero Andreussi, and Nicola Marzari
12:00 CPP 36.5 Ab initio molecular dynamics of Pt(111)/H2O interfaces in an electrolytic cell setup — •Sudarsan Surendralal, Mira Todorova, and Jörg Neugebauer
12:15 CPP 36.6 Swipe left for water molecules? - Implicit vs explicit descriptions of liquid water at interfaces. — •Nicolas Hörmann, Oliviero Andreussi, and Nicola Marzari
12:30 CPP 36.7 Transition metal oxide nanoparticles as efficient catalysts for proton exchange membrane electrolyzers: morphology, activity and stability — •Daniel Opalka, Yonghyuk Lee, Jakob Timmermann, Christoph Scheurer, and Karsten Reuter
12:45 CPP 36.8 Modelling the fingerprint of chemical reactions on catalytic surfaces in core-electron binding energies — •Johannes Lischner and Juhan Matthias Kahk
13:00 CPP 36.9 What Makes a Successful Photoanode? - The Role of the Semiconductor--Catalyst Interface — •Franziska Simone Hegner, Benjamin Moss, James Durrant, Sixto Gimenez, José-Ramón Galán-Mascarós, and Núria López
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