The DOI matches its Crossref record; 5 of the 5 references it cites were found in a registry or an index.
A Universal Approach To Determine the Free Energy Diagram of an Electrocatalytic Reaction
Abstract
Extended Tafel plots at various temperatures for an electrocatalyzed reaction and (possibly) its reversed reaction on single-crystalline model electrodes allow for constructing the (essential part of the) free energy surface, in particular the free energies of the transition states (TS). Free energies of the reaction intermediates (RIs) including the chemical nature of active surface sites (S) are hardly accessible to experiment and need therefore to be taken from constrained ab initio thermodynamics calculations. The compact compilation of experimental kinetic data in the form of a free energy diagram enables a critical assessment and validation of theoretical free energy landscapes based on first-principles kinetics. For three prototypical electrocatalyzed reactions, namely the chlorine evolution reaction (CER) and oxygen evolution reaction (OER) over RuO 2 (110) as well as hydrogen evolution reaction (HER) on Pt(111), we exemplify this universal approach and discuss potential benefits for theoretical modeling of electrocatalyzed reaction.
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Cites
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
Nørskov, J. K., Rossmeisl, J., Logadottir, A., Lindqvist, L., Kitchin, J. R., Bligaard, T., & Jónsson, H. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp047349j · Cited by 13,153
Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions
Jiao, Y., Zheng, Y., Jaroniec, M., & Qiao, S. Z. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00470a · Cited by 5,388
Shinagawa, T., Garcia-Esparza, A. T., & Takanabe, K. (2015) · Scientific Reports · doi:10.1038/srep13801 · Cited by 3,287
Skúlason, E., Tripkovic, V., Björketun, M. E., Gudmundsdóttir, S., Karlberg, G., Rossmeisl, J., Bligaard, T., Jónsson, H., & Nørskov, J. K. (2010) · The Journal of Physical Chemistry C · doi:10.1021/jp1048887 · Cited by 1,271
Reier, T., Nong, H. N., Teschner, D., Schlögl, R., & Strasser, P. (2017) · Advanced Energy Materials · doi:10.1002/aenm.201601275 · Cited by 1,253
Cited by
Metallic nanostructures with low dimensionality for electrochemical water splitting
Li, L., Wang, P., Shao, Q., & Huang, X. (2020) · Chemical Society Reviews · doi:10.1039/d0cs00013b · Cited by 1,049
Activity and Selectivity Trends in Electrocatalytic Nitrate Reduction on Transition Metals
Liu, J.-X., Richards, D., Singh, N., & Goldsmith, B. R. (2019) · ACS Catalysis · doi:10.1021/acscatal.9b02179 · Cited by 847
Enhancing Electrocatalytic Water Splitting by Strain Engineering
You, B., Tang, M. T., Tsai, C., Abild‐Pedersen, F., Zheng, X., & Li, H. (2019) · Advanced Materials · doi:10.1002/adma.201807001 · Cited by 793
The Sabatier Principle in Electrocatalysis: Basics, Limitations, and Extensions
Ooka, H., Huang, J., & Exner, K. S. (2021) · Frontiers in Energy Research · doi:10.3389/fenrg.2021.654460 · Cited by 600
Self-citationLi, L., Cao, X., Huo, J., Qu, J., Chen, W., Liu, C., Zhao, Y., Liu, H., & Wang, G. (2023) · Journal of Energy Chemistry · doi:10.1016/j.jechem.2022.09.022 · Cited by 404
Metadata
- Authors
- Exner, K. S., Sohrabnejad-Eskan, I., & Over, H.
- Venue
- ACS Catalysis
- Publisher
- American Chemical Society (ACS)
- Published
- 2018-01-31
- Volume
- 8
- Issue
- 3
- Pages
- 1864-1879
- ISSN
- 2155-5435 (ISSN-L)
- OpenAlex
- W2783709669
- Cited by
- 184
- References
- 5
- FWCI
- 4.30
- Type
- journal article
- Language
- en
- Open access
- closed
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