Cargando…
Adsorption and Activation of CO(2) on Nitride MXenes: Composition, Temperature, and Pressure effects
The interaction of CO(2) with nitride MXenes of different thickness is investigated using periodic density functional theory‐based calculations and kinetic simulations carried out in the framework of transition state theory, the ultimate goal being predicting their possible use in Carbon Capture and...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9291834/ https://www.ncbi.nlm.nih.gov/pubmed/34558173 http://dx.doi.org/10.1002/cphc.202100600 |