Regensburg 2019 – wissenschaftliches Programm
CPP 66.3: Vortrag
Freitag, 5. April 2019, 10:30–10:45, H18
Electrostatically designed metal-organic frameworks based p-i-n junctions — •Giulia Nascimbeni1, Christof Wöll2, and Egbert Zojer1 — 1Institute of Solid State Physics, Graz University of Technology, Austria — 2Institute of Functional Interfaces, Karlsruhe Institute of Technology, Germany
Metal-organic frameworks (MOFs) are highly crystalline porous materials consisting of metal ions or clusters coordinated mostly by oxygen or nitrogen atoms and connected by organic linkers. The nearly unrestricted choice of linkers and metal nodes leads to a variety of different materials, whose properties can be tuned simply by changing their chemistry. Recently new possible applications of MOFs in electronics and photonics [1, 2] have been suggested based on engineering their electronic band structures [3, 4]. In the spirit of this band structure engineering, in this contribution we present an innovative approach based on the layer-by-layer assembly of surface-anchored MOFs (SURMOFs) , which allows to integrate electric fields into molecular thin films, thus mimicking the electronic structure of p-i-n junction present in solar cells. We use band structure calculations to show how this can be achieved via the controlled manipulation of the potential energy landscape in MOFs through the regular assembly of dipolar molecules.  Sun et al., Angew. Chem. Int. Ed., 2016, 55, 3566.  Neumann et al., ACS Nano, 2016, 10 (7), 7085.  Pham et al., J. Phys. Chem. C, 2014, 118, 4567.  Park et al., J. Am. Chem. Soc., 2015, 137, 1774.  Liu et al., Chem. Soc. Rev., 2017, 46, 5730.