Regensburg 2025 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 36: Nanotubes, BEC, Cryocoolers: Poster
TT 36.3: Poster
Wednesday, March 19, 2025, 15:00–18:00, P3
Simulations to enhance the conductivity of graphene-based macromaterials — •Florian Fuchs1,2,3, Fabian Teichert1,2,3, and Jörg Schuster1,2,3 — 1Fraunhofer Institute for Electronic Nanosystems (ENAS), Chemnitz, Germany — 2Center for Microtechnologies,Chemnitz University of Technology, Chemnitz, Germany — 3Center for Materials, Architecture and Integration of Nanomembranes (MAIN), TU Chemnitz, Germany
Our aim is to enhance the conductivity of graphene-based macromaterials. These materials consist of many graphene flakes, which are arranged layerwise. A twofold strategy is pursued to improve the material: 1) optimizing the flake properties and the size of the macromaterial, and 2) intercalating molecules in-between the graphene layers.
A network model enables us to estimate the conductivity of the macromaterial for large model systems consisting of thousands of flakes. Particular emphasis will be given in our contribution on the variation of the layer numbers, which is of relevance for printed graphene paths.
To study the impact of intercalants, we perform density functional theory calculations. We concentrate on different fluorides and chlorides, where we vary the cation type and the anion number. The charge carrier density after intercalation is studied and related to more fundamental physical properties such as orbital overlaps and charge transfer.
Keywords: Graphene, Graphite, Intercalation, Conductor