Dresden 2017 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 85: Graphene: Adsorption, Intercalation and Other Aspects (joint session DY, DS, HL, MA, O, TT, organized by O)
TT 85.8: Talk
Friday, March 24, 2017, 12:15–12:30, TRE Ma
Electronic transport properties of novel nanosensors based on graphene and beyond — •Frank C. Maier1, Ganesh Sivaraman1, Fabio A.L. de Souza2, Rodrigo G. Amorim3, Wanderla L. Scopel2, Ralph H. Scheicher4, and Maria Fyta1 — 1Institute for Computational Physics, University of Stuttgart, Germany — 2Departamento de Fisica, Universidade Federal do Espirito Santo, Vitoria/ES, Brazil — 3Universidade Federal Fluminense, Departamento de Física, Volta Redonda/RJ, Brazil — 4Department of Physics and Astronomy, Materials Theory, Uppsala University, Sweden
In this work, we investigate the sensing abilities of graphene based-materials. Specifically, we focus of pristine graphene and on a hybrid graphene/hexagonal boron nitride monolayer. Using density functional theory based simulations together with the non-equilibrium Green's functions formalism we are able to calculate the electronic transport across these materials, which serve as a reference. At a next step we choose small molecules (such as NO2, CO2, H2S, benzene derivatives, etc.) and attach these covalently and/or non-covalently on the graphene materials. We first analyze the structural and electronic properties of these modified graphene-based monolayers and the molecule specific signatures. Our aim is to predict their electronic transport properties and evaluate the change in the properties and the charge transfer with respect to the type of the attached molecule. In the end, we discuss our results in view of using graphene-based sensors for label-free detection of molecules and binding events.