Electrochemical barriers : kinetic modeling of charge transfer reactions for energy applications
Abstract/Contents
- Abstract
- Computational modeling using density functional theory has been a very important tool for finding design criteria and explaining activity trends in heterogeneous catalysts. Recently, these tools have been applied to electrochemical reactions. Current challenges for computational electrochemical catalysis involve extending thermodynamic - or limiting potential - analyses to microkinetic models. These kinetic models can be used to predict turnover frequencies that can be compared to experimentally measured current densities. Additionally, kinetic models allow us to explore other relevant phenonmena such as coverage under reaction conditions and selectivity. This works seeks to refine methods for quantifying electrochemical activation energies and their dependence on applied potential. We further apply these energetics to microkinetic models for electrochemical reactions such as oxygen reduction, water splitting, and CO reduction.
Description
| Type of resource | text |
|---|---|
| Form | electronic resource; remote; computer; online resource |
| Extent | 1 online resource. |
| Place | California |
| Place | [Stanford, California] |
| Publisher | [Stanford University] |
| Copyright date | 2019; ©2019 |
| Publication date | 2019; 2019 |
| Issuance | monographic |
| Language | English |
Creators/Contributors
| Author | Kirk, Charlotte Sophia |
|---|---|
| Degree supervisor | Jaramillo, Thomas Francisco |
| Degree supervisor | Noerskov, Jens |
| Thesis advisor | Jaramillo, Thomas Francisco |
| Thesis advisor | Noerskov, Jens |
| Thesis advisor | Cargnello, Matteo |
| Degree committee member | Cargnello, Matteo |
| Associated with | Stanford University, Department of Chemical Engineering. |
Subjects
| Genre | Theses |
|---|---|
| Genre | Text |
Bibliographic information
| Statement of responsibility | Charlotte S. Kirk. |
|---|---|
| Note | Submitted to the Department of Chemical Engineering. |
| Thesis | Thesis Ph.D. Stanford University 2019. |
| Location | electronic resource |
Access conditions
- Copyright
- © 2019 by Charlotte Sophia Kirk
- License
- This work is licensed under a Creative Commons Attribution Non Commercial 3.0 Unported license (CC BY-NC).
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