The structure of the carbon/electrolyte interface from molecular dynamics simulations

Add to your list(s) Download to your calendar using vCal

• Professor Paola Carbone, University of Manchester
• Wednesday 22 February 2023, 14:30-15:30
• Unilever Lecture Theatre, Yusuf Hamied Department of Chemistry.

If you have a question about this talk, please contact Lisa Masters.

The physical-chemistry of the graphene/aqueous–electrolyte interface underpins the operational conditions of a wide range of devices. Despite its importance, this interface is poorly understood due to the challenges faced in its experimental characterization and the difficulty of developing models that encompass its full physics. In this talk I’ll present the simulation methods we have developed to model such interface and how modelling can aid the full characterization of this interface.

[1] J. D. Elliott et al., J. Mater. Chem. C, 2022, 10, 15225-15262 [2] Z. Wei et al., Carbon, 2022, 198, 132-141 [3] C. D. Williams et al., Nanoscale, 2022, 14, 3467-3479 [4] N. DiPasquale et al., J. Comp. Theory and Sim, 2021, 17, 4477-4485 [5] J. D. Elliott et al., J. Comp. Theory and Sim, 2020, 16, 5253-5263 [6] C. D. Williams et al., J. Phys. Chem. Lett, 2017, 8, 703-708

This talk is part of the Theory - Chemistry Research Interest Group series.

This talk is included in these lists:

• All Talks (aka the CURE list)
• Department of Chemistry
• Featured lists
• Lennard-Jones Centre external
• School of Physical Sciences
• Unilever Lecture Theatre, Yusuf Hamied Department of Chemistry

Note that ex-directory lists are not shown.