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Berlin 2024 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 96: Solid-Liquid Interfaces IV: Reactions and Electrochemistry

Donnerstag, 21. März 2024, 15:00–18:00, TC 006

15:00 O 96.1 How to exploit the electrochemical driving forces to understand electrochemical CO(2) reduction — •Georg Kastlunger, Hendrik Heenen, and Nitish Govindarajan
15:15 O 96.2 Multiscale modeling reveals mass transport-controlled product selectivity in electrochemical CO2 reduction on Cu — •Adith Ramakrishnan Velmurugan, Youngran Jung, Dae-Hyun Nam, and Stefan Ringe
15:30 O 96.3 The mechanism of electrochemical CO2 reduction to post CO and C2+ products over single atom catalystsReza Khakpour, Kaveh Farshadfar, Kari Laasonen, and •Michael Busch
15:45 O 96.4 Topical Talk: Importance of charge transfer descriptor for the computational screening of electrocatalysts — •Stefan Ringe
16:15 O 96.5 Potentially Uncontrolled Barrier Calculations for Electrocatalysis — •Simeon D. Beinlich, Georg Kastlunger, Karsten Reuter, and Nicolas G. Hörmann
16:30 O 96.6 Relation between Electrocatalyst Morphology and Product Selectivity from Multi-Scale Reaction Models — •Hemanth S. Pillai, Hendrik H. Heenen, Karsten Reuter, and Vanessa J. Bukas
16:45 O 96.7 Converging Divergent Paths: Constant Charge vs. Constant Potential Energetics in Computational Electrochemistry — •Nicolas G. Hörmann, Simeon D. Beinlich, and Karsten Reuter
17:00 O 96.8 Approximating Grand-Canonical Energetics of Electrified Semiconductor-Electrolyte Interfaces – A Benchmark Study — •Hedda Oschinski, Karsten Reuter, and Nicolas G. Hörmann
17:15 O 96.9 Thermodynamic Cyclic Voltammograms from First Principles — •Nicolas Bergmann, Nicolas G. Hörmann, and Karsten Reuter
17:30 O 96.10 On the Origin of Electrocatalytic Selectivity during the Oxygen Reduction Reaction on Au(111) — •Elias Diesen, Karsten Reuter, and Vanessa J. Bukas
17:45 O 96.11 Computational chemistry analysis of passive layer formation and breakdown mechanisms in ferritic stainless steels — •Vahid Jamebozorgi, Karsten Rasim, and Christian Schröder
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