Field Effect and Local Gating in Nitrogen‐Terminated Nanopores (NtNP) and Nanogaps (NtNG) in Graphene
Dražić, Miloš S.
Tomović, Aleksandar Ž.
Jovanović, Vladimir P.
Article (Submitted Version)
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Single-molecule biosensing, with a promise of being applied in protein and DNA sequencing, could be achieved using tunneling current approach. Electrode-molecule-electrode tunneling current critically depends on whether molecular levels contribute to electronic transport or not. Here we found employing DFT and Non-Equilibrium Green's Function formalism that energies of benzene molecular levels placed between graphene electrodes are strongly influenced by electrode termination. Termination-dependent dipoles formed at the electrode ends induce in-gap field effect that is responsible for shifting of molecular levels. We show that the HOMO is closest to Fermi energy for nitrogen-terminated nanogaps (NtNGs) and nanopores (NtNPs), promoting them as strong candidates for single-molecule sensing applications.
Keywords:Graphene / Nanogaps / Non‐equilibrium Green′s functions / Nitrogen‐terminated nanogaps (NtNGs) / Nitrogen‐terminated nanopores (NtNPs) / nanogap / nanopore / field effect / termination
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200053 (University of Belgrade, Institute for Multidisciplinary Research) (RS-200053)
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200017 (University of Belgrade, Institute of Nuclear Sciences 'Vinča', Belgrade-Vinča) (RS-200017)
- Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 451-03-68/2020-14/200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) (RS-200026)
- Swiss National Science Foundation (SCOPES project No. 152406)
- NanoTools for Ultra Fast DNA Sequencing (EU-214840)
- This is the pre-peer reviewed version of the following article: Ivana Djurišić, Miloš S. Dražić, Aleksandar Ž. Tomović, Marko Spasenović, Željko Šljivančanin, Vladimir P. Jovanović, Radomir Zikic, ChemPhysChem, 2020, doi: 10.1002/cphc.202000771 which has been published in final form at https://doi.org/10.1002/cphc.202000771. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions
- The published version: https://cer.ihtm.bg.ac.rs/handle/123456789/4044
- The accepted version: https://cer.ihtm.bg.ac.rs/handle/123456789/4048