Szilagyi, P. A.Rogers, D. M.Zaiser, I.Callini, E.Turner, S.Borgschulte, A.Zuettel, A.Geerlings, H.Hirscher, M.Dam, B.2017-09-052017-09-052017-09-05201710.1039/c7ta03134chttps://infoscience.epfl.ch/handle/20.500.14299/140087WOS:000406672400013We have investigated the potential of metal-organic frameworks for immobilising single atoms of transition metals using a model system of Pd supported on NH2-MIL-101(Cr). Our transmission electron microscopy and in situ Raman spectroscopy results give evidence for the first time that functionalised metal-organic frameworks may support, isolate and stabilise single atoms of palladium. Using thermal desorption spectroscopy we were able to evaluate the proportion of single Pd atoms. Furthermore, in a combined theoretical-experimental approach, we show that the H-H bonds in a H-2 molecule elongate by over 15% through the formation of a complex with single atoms of Pd. Such deformation would affect any hydrogenation reaction and thus the single atoms supported on metal-organic frameworks may become promising single atom catalysts in future.text::journal::journal article::research article