Berlin 2018 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 74: Nanostructures at surfaces: Other aspects

O 74.4: Vortrag

Mittwoch, 14. März 2018, 17:30–17:45, MA 141

Lateral heterostructures for sensing small molecules: electronic current features — Ganesh Sivaraman¹, Frank C. Maier¹, 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, Univer- sidade Federal do Espirito Santo, Brazil — ³Universidade Federal Fluminense, Departamento de Física, Volta Redonda/RJ, Brazil — ⁴Department of Physics and Astronomy, Materials Theory, Uppsala University, SwedenDe

Using density functional theory based calculations with the non-equilibrium Greens functions approach, we study in detail the structural, transport, and electronic properties of two types of lateral 2D heterostructures. The first is a combination of graphene with hexagonal boron-nitride (G/hBN). The second is a (1T) metallic MoS₂ phase embedded in a (2H) semiconducting MoS₂ phase (1T/2HMoS₂). Our results identify the importance of the interface within these materials and provide the relation to the electronic current flowing across these. Having understood the basic properties of these structures, we further reveal their high potential and relevance in detecting small molecules. On one hand, we show that the G/hBN heterostructure can detect small gas molecules. On the other hand, by opening a small pore in the 1T/2HMoS₂ heterostructure, we can distinguish between DNA nucleotides. Proof of both detection schemes is provided through the distinct electronic properties and the clear electronic current signals for the various molecules and each heterostructure.