Florian Goeltl

Mag. rer. nat., University of Vienna, Department of Physics, Mathematical Physics
Dr. rer. nat., University of Vienna, Department of Physics, Computational Materials Physics

2733 Engineering Hall
608-265-3775
f@wisc.edu

Publications:

  1. Synthesis Gas Conversion over Rh-Based Catalysts Promoted by Fe and Mn”, Y. Liu, F. Göeltl, I. Ro, M. R. Ball, C. Sener, I. B. Aragão, D. Zanchet, G. W. Huber, M. Mavrikakis, and J. A. Dumesic ACS Catalysis 7, 4550 (2017). [DOI]
  2. The Impact of Finite Temperature on the Coordinatoin of Cu Cation in the Zeolite SSZ-13″, F. Göltl, P. Sautet, and I. Hermans Catalysis Today 267, 41 (2016). [DOI]
  3. Silica-Grafted SnIV Catalysts in Hydrogen-Transfer Reactions”, S. Conrad, R. Verel, P. Wolf, C. Hammond, F. Göltl, and I. Hermans ChemCatChem 7, 3270 (2015). [DOI]
  4. Can Dynamics Be Responsible for the Complex Multi-Peak Infrared Spectra of NO Adsorbed to Cu(II)-Sites in Zeolites?”, F. Göltl, P. Sautet, and I. Hermans Angew. Chem. Int. Ed. 54, 7799 (2015). [DOI]
  5. Effect of Temperature on the Adsorption of Short Alkanes in the Zeolite SSZ-13 – Adapting Adsorption Isotherms to Microporous Materials”, T. Jiang, F. Göltl, R.E. Bulo, and P. Sautet ACS Catalysis 4, 2351 (2014). [DOI]
  6. Importance of a non-local description of electron-electron interactions in modelling the dissociative adsorption of H2 on Cu(100)”, F. Göltl, C. Houriez, M. Guitou, G. Chambaud, and P. Sautet Journal of Physical Chemistry C 118, 5374 (2014). [DOI]
  7. Modeling the adsorption of short alkanes in the zeolite SSZ-13 using “van der Waals” DFT exchange correlation functionals: Understanding the advantages and limitations of such functionals”, F. Göltl and P. Sautet Journal of Chemical Physics 140, 154105 (2014). [DOI]
  8. Density Functional Theory as a Key Approach in Surface Chemistry and Heterogeneous Catalysis, Comprehensive Inorganic Chemistry II”, F. Göltl and P. Sautet Elsevier 140, (2013). [DOI]
  9. What Makes Copper-Exchanged SSZ-13 Zeolite Efficient at Cleaning Car Exhaust Gases?”, F. Göltl, R. E. Bulo, J. Hafner, and P. Sautet Journal of Physical Chemistry Letters 4, 2244 (2013). [DOI]
  10. Modelling the adsorption of short alkanes in protonated chabazite: The impact of dispersion forces and temperature”, F. Göltl and J. Hafner Microporous and Mesoporous Materials 166, 176 (2013). [DOI]
  11. Early stages of water/hydroxyl phase generation at transition metal surfaces – synergetic adsorption and O-H bond dissociation assistance”, C. Michel, F. Göltl, and P. Sautet Physical Chemistry Chemical Physics 14, 15286 (2012). [DOI]
  12. Van der Waals interaction between hydrocarbon molecules and zeolites: Periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory”, F. Göltl, A. Grüneis, T. Bučko, and J. Hafner Journal of Chemical Physics 137, 114111 (2012). [DOI]
  13. Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. I. Structure and energetics”, F. Göltl and J. Hafner Journal of Chemical Physics 136, 064501 (2012). [DOI]
  14. Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. II. Electronic structure and photoluminescence spectra”, F. Göltl and J. Hafner Journal of Chemical Physics 136, 064502 (2012). [DOI]
  15. Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. III. Energetics and vibrational spectroscopy of adsorbates”, F. Göltl and J. Hafner Journal of Chemical Physics 136, 064503 (2012). [DOI]
  16. Alkane adsorption in Na-chabazite: The influence of dispersion forces”, F. Göltl and J. Hafner Journal of Chemical Physics 134, 064102 (2011). [DOI]
  17. Application of Hybrid Functionals to the Modeling of NO Adsorptoin on Cu-SAPO-34 and Co-SAPO-34: A Periodic DFT Study”, E. L. Uzunova, F. Göltl, G. Kresse, and J. Hafner Journal of Physical Chemistry C 113, 5274 (2009). [DOI]