[Tu-C6] Catalysis & On-Surface Synthesis: Theory & Experiment

5:00 PM - 5:20 PM

[Tu-C6-01] Quantifying the role of coordination geometry in single-atom catalysis: CO adsorption on model Fe-N₃ and Fe-N₄ sites

*Zdenek Jakub¹, Jakub Planer¹, Dominik Hrůza¹, Tadeas Lesovsky¹, Ayesha Jabeen¹, Jan Cechal^1,2 (1. CEITEC - Central European Institute of Technology, Brno University of Technology (Czech Republic), 2. Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology (Czech Republic))

Keywords:

single-atom catalysis,molecular adsorption,2D metal-organic frameworks,scanning tunneling microscopy,density functional theory