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Young Electrochemists: Recent Advances in Theoretical and Computational Electrochemistry

All times are CET (Barcelona, UTC+1), all presentations are 30 min + 10 min questions + 5-minute breaks. Free attendance, no registration needed.

Day 1 (Thursday, December 9)

Link: https://ub-edu.zoom.us/j/98401000757?pwd=cFlreXJnVFp3dzZnT3NjVDFUTXFVQT09          

09:30               Tej Choksi (Nanyang Technological University). Enhancing the selectivity of oxygen- and CO2-reduction electrocatalysts by tailoring chemical environments beyond the binding site.

10:15               Núria López (ICIQ, Spain). TBD.

11:00               Kai Exner (University of Duisburg-Essen, Germany). A new perspective on the theoretical description of the oxygen electrocatalysis. 

11:45               Egill Skúlason (University of Iceland, Iceland). TBD. 

BREAK: 12:30

14:00               Santiago Builes (Eafit University, Colombia). Incorporating adsorbate-solvent interactions into computational electrocatalysis models.

14:45               Raffaella Buonsanti (EPFL, Switzerland). Tailored Cu-based nanocrystals to unlock selectivity pathways in the electrochemical CO2 reduction reaction.

15:30               Max García-Melchor (Trinity College Dublin, Ireland). Modelling and accelerated rational design of electrocatalysts for water splitting.

16:15               Ian McCrum (Clarkson University, USA). Alkaline hydrogen evolution: insights from theory and experiments for catalyst design.

END:    17:00   

Day 2 (Friday, December 10)   

Link: https://ub-edu.zoom.us/j/99773828735?pwd=UmxIencvZ3FTOWZkNUhkZm9tY2Qrdz09

09:30               Alexander Bagger (University of Copenhagen, Denmark). Predicting selectivity from a correlation perspective; CO2RR, NOxRR, N2RR…

10:15               Hideshi Ooka (RIKEN, Japan). Shift of the volcano apex with applied overpotential: microkinetic prediction and experimental verification.

11:00               Paula Sebastián-Pascual (University of Copenhagen, Denmark). Experimental assessment of the surface structure and electrolyte effects on CO electroreduction on Cu well defined surfaces.

11:45               Heine Hansen (Technical University of Denmark, Denmark). Understanding the water splitting reaction on ceria.END:    12:30