Application of Hybrid Functionals to the Modeling of NO Adsorption on Cu-SAPO-34 and Co-SAPO-34: A Periodic DFT Study
- Author(s)
- Ellie Uzunova, Florian Göltl, Georg Kresse, Juergen Hafner
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Bulgarian Academy of Sciences (BAS)
- Journal
- The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces)
- Volume
- 113
- Pages
- 5274-5291
- No. of pages
- 18
- ISSN
- 1932-7447
- DOI
- https://doi.org/10.1021/jp809927k
- Publication date
- 2009
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 103018 Materials physics
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/application-of-hybrid-functionals-to-the-modeling-of-no-adsorption-on-cusapo34-and-cosapo34-a-periodic-dft-study(ed93b081-5a95-4b9b-bdf6-e2ceb6b4ba5d).html