Berlin 2018 –
scientific programme
CPP 59: Solid-liquid interfaces: Reactions and electrochemisty IV (joint session O/CPP)
Wednesday, March 14, 2018, 16:45–18:00, MA 144
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16:45 |
CPP 59.1 |
Implicit solvation functionality for surface supercell calculations with the full-potential DFT code FHI-aims — •Jakob Timmermann, Marvin Lechner, Stefan Ringe, Harald Oberhofer, and Karsten Reuter
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17:00 |
CPP 59.2 |
First-Principles Calculation of Solvent-Mediated Proton Transfer at the TiO2(110) Surface: Kinetic Barriers and the Effect of Functionals — •Ahmad Agung, Thomas Stecher, Karsten Reuter, and Harald Oberhofer
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17:15 |
CPP 59.3 |
Beyond Catalyst Screening for Electrocatalytic Materials -- Importance of Active Site Structure, Mechanism, and Kinetics for the OER on Transition Metal Oxides — •Craig Plaisance, Simeon Beinlich, and Karsten Reuter
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17:30 |
CPP 59.4 |
Band alignment at semiconductor/water interfaces using explicit and implicit descriptions for liquid water — •Nicolas Hörmann, Zhendong Guo, Francesco Ambrosio, Oliviero Andreussi, Alfredo Pasquarello, and Nicola Marzari
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17:45 |
CPP 59.5 |
On the enhanced self-dissociation of water by bidimensional nanoconfinement — •Daniel Muñoz-Santiburcio and Dominik Marx
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