Electrochemical CO2 reduction on transition metal surfaces - from thermodynamics to kinetics
Abstract/Contents
- Abstract
- Electrochemical CO2 reduction is a promising technology for the storage of renewable energy in the form of energy-dense hydrocarbons. Although this reaction has been studied experimentally for over a century, only in the last decade have advancements in density functional theory (DFT) and computing power allowed for the theoretical study of heterogeneous electrochemical CO2 reduction to thrive. Our work builds upon advances in the understanding of electrochemical interfaces to model electrochemical CO2 reduction at the fundamental level. First we explore the thermodynamics of CO2 reduction on transition metal surfaces with DFT calculations of binding energies. Then we use explicit simulations of the water-metal interface to calculate proton-electron transfer barriers. Finally we apply trends in barriers to predict electrochemical CO2 reduction reactivity from mean-field microkinetic modeling.
Description
| Type of resource | text |
|---|---|
| Form | electronic; electronic resource; remote |
| Extent | 1 online resource. |
| Publication date | 2015 |
| Issuance | monographic |
| Language | English |
Creators/Contributors
| Associated with | Shi, Chuan |
|---|---|
| Associated with | Stanford University, Department of Chemical Engineering. |
| Primary advisor | Nørskov, Jens K |
| Thesis advisor | Nørskov, Jens K |
| Thesis advisor | Jaramillo, Thomas Francisco |
| Thesis advisor | Wilcox, Jennifer, 1976- |
| Advisor | Jaramillo, Thomas Francisco |
| Advisor | Wilcox, Jennifer, 1976- |
Subjects
| Genre | Theses |
|---|
Bibliographic information
| Statement of responsibility | Chuan Shi. |
|---|---|
| Note | Submitted to the Department of Chemical Engineering. |
| Thesis | Thesis (Ph.D.)--Stanford University, 2015. |
| Location | electronic resource |
Access conditions
- Copyright
- © 2015 by Chuan Shi
- License
- This work is licensed under a Creative Commons Attribution Non Commercial 3.0 Unported license (CC BY-NC).
Also listed in
Loading usage metrics...