O 96: Solid-Liquid Interfaces IV: Reactions and Electrochemistry
Thursday, March 21, 2024, 15:00–18:00, TC 006
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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
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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
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15:30 |
O 96.3 |
The mechanism of electrochemical CO2 reduction to post CO and C2+ products over single atom catalysts — Reza Khakpour, Kaveh Farshadfar, Kari Laasonen, and •Michael Busch
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15:45 |
O 96.4 |
Topical Talk:
Importance of charge transfer descriptor for the computational screening of electrocatalysts — •Stefan Ringe
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16:15 |
O 96.5 |
Potentially Uncontrolled Barrier Calculations for Electrocatalysis — •Simeon D. Beinlich, Georg Kastlunger, Karsten Reuter, and Nicolas G. Hörmann
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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
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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
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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
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17:15 |
O 96.9 |
Thermodynamic Cyclic Voltammograms from First Principles — •Nicolas Bergmann, Nicolas G. Hörmann, and Karsten Reuter
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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
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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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