Thermochemistry of Elementary Reactions in Water–Gas Shift Reaction on Ni(111): An Ab Initio Study
A comprehensive thermodynamic study of the water–gas shift (WGS) reaction was performed using density functional theory (DFT). Chemisorption involves the formation of new chemical bonds between adsorbed species and atoms of the substrate. Adsorbates dissociate on the metal surface because of weaker...
Guardado en:
| Autores principales: | , |
|---|---|
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
World Scientific Publishing
2023-01-01
|
| Colección: | Materials Open |
| Materias: | |
| Acceso en línea: | https://www.worldscientific.com/doi/10.1142/S281108622350005X |
| Etiquetas: |
Sin Etiquetas, Sea el primero en etiquetar este registro!
|