| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381690 | Chemical Physics Letters | 2013 | 6 Pages |
Abstract
- We used DFT and DFT with vdW interactions to study CO2 sorption in OMS-2 materials.
- The presence of cations in OMS-2 tailors CO2-pore interaction.
- The concentration, type and charge of cations affect CO2 sorption behavior.
- OMS-2 with lower-charge cations exhibits less hysteresis.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Lan Li, Eric Cockayne, Izaak Williamson, Laura Espinal, Winnie Wong-Ng,