ES22-Satheesh

Author: P Satheesh, Preethu- 2D Materials and Devices Laboratory (2DML), Department of Physics and Nanotechnology, SRM Institute of Science and Technology. Kattankulathur, Tamil Nadu.

Title: An Insight into the Properties of MoS2/MoOx interface: A Combined Theoretical and Experimental Study

Abstract: Two-dimensional molybdenum disulfide (MoS2) stands as the most promising material for optoelectronic applications because of its superior properties like bandgap tunability, exciton dominated optical phenomena, and its ability to form van der Waals heterostructures without the need for lattice matching. Doping is a purposeful introduction of impurity so as to enhance the electronic properties suitable for specific applications. Being atomically thin, 2D materials experience a strong charge transfer when combined with other materials. The charge transfer and associated change in the electronic properties of 2D materials has been the subject of many studies. Recently, the MoS2/sub-stoichiometric metal oxides (MOs) interface has received a significant interest due to the ability of the oxide layers to provide a stable and efficient doping effect for maneuvering the properties of MoS2 suitable for ultrafast photodetection and so on. Molybdenum Trioxide (MoO3) is chosen as one of the dopants as it is stable in ambient conditions, and it provides an efficient hole extraction. In addition, the tunable stoichiometry of Molybdenum oxides is also under consideration because the potential changes in the structure and oxidation states could bring changes in the optical properties. This study will also shed light on the mechanism underlying the observed narrow bandgap with oxygen deficiency. The Interaction of the MoS2 surface with various dopants and their change in the electronic properties due to the interaction is performed using Density Functional Theory (DFT). The first principle calculation results demonstrate that due to the relative band alignment with MoS2, together with a small energy gap, the MoS2/MoO3 interface is an ideal candidate for a tunnel field effect (TFET)-type device.

Other authors:
Sarathkumar C B,Novel,Advanced and Applied Materials (NAAM) Laboratory, Department of Physics and Nanotechnology, SRM Institute of Science and Technology. Kattankulathur, Tamil Nadu. V. J. Surya* ,Novel,Advanced and Applied Materials (NAAM)Laboratory, Department of Physics and Nanotechnology, SRM Institute of Science and Technology. Kattankulathur, Tamil Nadu. S. Chandramohan*2D Materials and Devices Laboratory (2DML), Department of Physics and Nanotechnology, SRM Institute of Science and Technology. Kattankulathur, Tamil Nadu.