O 51: Frontiers of Electronic-Structure Theory: Focus on the Interface Challenge V (joint session O/CPP/DS/TT)
Wednesday, April 3, 2019, 10:30–13:15, H9
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10:30 |
O 51.1 |
Topical Talk:
Theoretical Investigations of Electrochemical CO2 Reduction — •Karen Chan
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11:00 |
O 51.2 |
Topical Talk:
First-principles approach to model electrochemical reactions at the solid-liquid interface — •Mira Todorova, Sudarsan Surendralal, and Jörg Neugebauer
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11:30 |
O 51.3 |
Towards out of the box implicit solvation at liquid-liquid interfaces — •Jakob Filser, Markus Sinstein, Christoph Scheurer, Sebastian Matera, Karsten Reuter, and Harald Oberhofer
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11:45 |
O 51.4 |
Continuum models of the electrochemical diffuse layer in electronic-structure calculations — •Francesco Nattino, Oliviero Andreussi, and Nicola Marzari
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12:00 |
O 51.5 |
Ab initio molecular dynamics of Pt(111)/H2O interfaces in an electrolytic cell setup — •Sudarsan Surendralal, Mira Todorova, and Jörg Neugebauer
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12:15 |
O 51.6 |
Swipe left for water molecules? - Implicit vs explicit descriptions of liquid water at interfaces. — •Nicolas Hörmann, Oliviero Andreussi, and Nicola Marzari
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12:30 |
O 51.7 |
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
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12:45 |
O 51.8 |
Modelling the fingerprint of chemical reactions on catalytic surfaces in core-electron binding energies — •Johannes Lischner and Juhan Matthias Kahk
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13:00 |
O 51.9 |
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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