Activation Energies of Heterogeneous Electrocatalysis: A Theoretical Perspective.
| Autor: | Levell Z; Texas Materials Institute and Department of Mechanical Engineering, The University of Texas at Austin, Austin, Texas 78731, United States of America., Liu Y; Texas Materials Institute and Department of Mechanical Engineering, The University of Texas at Austin, Austin, Texas 78731, United States of America. |
|---|---|
| Jazyk: | angličtina |
| Zdroj: | ACS materials Au [ACS Mater Au] 2023 Dec 19; Vol. 4 (2), pp. 129-132. Date of Electronic Publication: 2023 Dec 19 (Print Publication: 2024). |
| DOI: | 10.1021/acsmaterialsau.3c00071 |
| Abstrakt: | Heterogeneous electrochemistry is important for various applications. However, currently, there is limited information about activation energies. In this invited review, we review the challenges associated with calculating these activation energies. Specifically, we highlight three key difficulties in atomistic modeling: liquid structure, electrode potential, and electrolyte ions, along with state-of-the-art methods to address them. We aim to inspire more studies in the field of activation energies to better understand and design heterogeneous electrocatalysts. Competing Interests: The authors declare no competing financial interest. (© 2023 The Authors. Published by American Chemical Society.) |
| Databáze: | MEDLINE |
| Externí odkaz: |
|