Berlin 2015 – scientific programme

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DS: Fachverband Dünne Schichten

DS 36: Poster Session I

DS 36.48: Poster

Thursday, March 19, 2015, 09:30–12:00, Poster A

Tunable Coordinative Defects in UHM-3 Surface-Mounted MOFs for Gas Adsorption and Separation: A Combined Experimental and Theoretical Study — •Zhengbang Wang¹, Hikmet Sezen¹, Jinxuan Liu¹, Chengwu Yang¹, Stephanie Roggenbuck², Katharina Peikert², Michael Fröba², Andreas Mavrantonakis³, Barbara Supronowicz³, Thomas Heine³, Hartmut Gliemann¹, and Christof Wöll¹ — ¹Institute of Functional Interfaces, Karlsruhe Institute of Technology — ²Institute of Inorganic and Applied Chemistry, Department of Chemistry, University of Hamburg — ³Engineering and Science, Jacobs University Bremen

Here, we first report on the growth of oriented, homogeneous and virtually defect-free (below 1 %) UHM-3 MOF thin films on a modified solid substrate using a room-temperature liquid phase epitaxy (LPE) method. Thermal postsynthetic treatment allowed to induce Cu(I) defect sites in a controlled fashion.The interaction of CO and CO2 with the Cu(II) and Cu(I) sites was then studied using X-ray photoelectron spectroscopy (XPS) and IR-spectroscopy. The binding energy of these two species was determined using temperature-induced desorption. The interaction between the guest molecules and the Cu(I) and Cu(II) sites were also analyzed using density-functional theory (DFT). Surprisingly, both experiment and theory show that the binding energy of CO2 to Cu(I) and Cu(II) sites are essentially identical, in pronounced contrast to CO, which binds much stronger to Cu(I).