Theoretical analysis of heterogeneous catalysis for energy storage and conversion - The interconversion between formic acid and carbon dioxide and methane oxidation on transition metals
Abstract/Contents
- Abstract
- Recent advances in computing power mean that it is now possible to tackle complex scientific challenges using computational methods. In this thesis, we employ density functional theory (DFT) and microkinetic modeling to take a meaningful step toward achieving the ultimate goal in the field of catalysis research, the rational design of catalyst materials. The interconversion between formic acid and carbon dioxide with relevance to the storage of hydrogen, and methane oxidation with relevance to the efficient utilization of natural gas are used as examples of heterogeneous catalysis to demonstrate our methodology to interpret catalytic trends and identify promising catalyst materials.
Description
| Type of resource | text |
|---|---|
| Form | electronic; electronic resource; remote |
| Extent | 1 online resource. |
| Publication date | 2016 |
| Issuance | monographic |
| Language | English |
Creators/Contributors
| Associated with | Yoo, Jongsuk |
|---|---|
| Associated with | Stanford University, Department of Chemical Engineering. |
| Primary advisor | Nørskov, Jens K |
| Thesis advisor | Nørskov, Jens K |
| Thesis advisor | Bent, Stacey |
| Thesis advisor | Cargnello, Matteo |
| Thesis advisor | Studt, Felix |
| Advisor | Bent, Stacey |
| Advisor | Cargnello, Matteo |
| Advisor | Studt, Felix |
Subjects
| Genre | Theses |
|---|
Bibliographic information
| Statement of responsibility | Jongsuk Yoo. |
|---|---|
| Note | Submitted to the Department of Chemical Engineering. |
| Thesis | Thesis (Ph.D.)--Stanford University, 2016. |
| Location | electronic resource |
Access conditions
- Copyright
- © 2016 by Jongsuk Yoo
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