Dresden 2017 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 77: 2D Materials Beyond Graphene IV
O 77.2: Vortrag
Mittwoch, 22. März 2017, 15:30–15:45, WIL A317
A hybrid MoS2 material for nanopore sensing: interface and asymmetry — Ganesh Sivaraman1, Fabio A.L. de Souza2, Rodrigo G. Amorim3,4, Wanderla L. Scopel2, Ralph H. Scheicher3, and •Maria Fyta1 — 1Institute for Computational Physics, Stuttgart University — 2Departamento de Fisica, Universidade Federal do Espirito Santo, Brazil — 3Department of Physics and Astronomy, Materials Theory, Uppsala University, Sweden — 4Departamento de Física, Universidade Federal Fluminense, Brazil
An important class of 2D nanomaterials beyond graphene is the family of transition metal dichalcogenides (TMDs) such as molybdenum disulfide (MoS2). In MoS2 a semiconducting (2H) and a metallic (1T) phase can co-exist. We investigate the electronic and transport properties of a hybrid MoS2 monolayer composed by a 1T strip embedded in the 2H MoS2 phase. Using density functional theory based calculations with the non-equilibrium Greens functions (NEGF) approach, we study in detail the structural and electronic properties of hybrid MoS2 and its interface. A clear anisotropy in the electronic and transmission properties of the hybrid material was found and linked to the microstructure of its interfaces. We also show the relevance of such a material to sensing DNA with MoS2 nanopores. In order to understand the formation of this nanopore, a single point-defect analysis is performed also assessing the stability of the hybrid system and the different pore terminations. The current modulation around a nanopore when placing DNA in the pore manifests the strong potential of hybrid MoS2 in next generation biosensing devices.