Dresden 2020 – wissenschaftliches Programm
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CPP 6.3: Vortrag
Montag, 16. März 2020, 12:00–12:15, ZEU 255
Relation between topology and electronic structure of 2D polymers — •Maximilian A. Springer1,2, Tsai-Jung Liu2, Agnieszka Kuc1, and Thomas Heine1,2 — 1Helmholtz-Zentrum Dresden-Rossendorf, Institute of Resource Ecology, Research Site Leipzig, Permoserstrasse 15, 04318 Leipzig, Germany — 2TU Dresden, Faculty of Chemistry and Food Chemistry, Bergstrasse 66c, 01062 Dresden, Germany
New 2D materials open access to a whole new world of compounds and properties. Graphene monolayer is such a material, since it has special electron transport features due to its honeycomb topology. Apart from the honeycomb net, there are many more 2D topologies which promise a manifold of new properties, e.g. the kagomé or the Lieb lattice. As recently shown in the case of the kagomé net, 2D polymers (covalent organic frameworks) can be designed in a way that their geometric and electronic structure match the desired topology [Y. Jing, T. Heine, J. Am. Chem. Soc. 2019, 141, 2, 743-747]. We investigate electronic properties including topological signatures of different 2D nets using a tight-binding approach. Based on these findings, we want to propose new 2D polymers with the desired structures and new properties using density-functional theory.