| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
Thermodynamics and Kinetics of Electrochemical Solid/Liquid Interfaces: Role of the Solvent |
| Author(s) |
Mira Todorova, Suhyun Yoo, Sudarsan Surendralal, Joerg Neugebauer |
| On-Site Speaker (Planned) |
Mira Todorova |
| Abstract Scope |
Processes at solid-liquid interfaces are at the heart of many present day technological challenges related to the improvement of battery materials, electro-catalysis, fuel cells, corrosion and others. Describing and quantifying the underlying fundamental mechanisms is equally challenging for experimental and theoretical techniques.
Using the example of ZnO(0001) surfaces in aqueous environment we discuss how by combining density functional theory with thermodynamics we gain insight into the role the aqueous electrolyte plays in shaping surfaces [Phys. Rev. Lett. 120, 066101 (2018)]. Proceeding beyond the thermodynamic description, we utilize our novel potentiostat design to study reactions at electrochemical solid/liquid interfaces under controlled bias [Phys. Rev. Lett. 120, 246801 (2018)]. Focusing on one of the most corrosive system under wet corrosion, we solve a 150-year-old problem, which links H-evolution under anodic conditions to Mg dissolution. |
| Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |