@article{mohebbi_towards_2024,
	title = {Towards graphene-based asymmetric diodes: a density functional tight-binding study},
	volume = {6},
	issn = {2516-0230},
	url = {https://xlink.rsc.org/?DOI=D3NA00603D},
	doi = {10.1039/D3NA00603D},
	shorttitle = {Towards graphene-based asymmetric diodes},
	abstract = {Self-consistent charge density functional tight-binding ({DFTB}) calculations have been performed to investigate the electrical properties and transport behavior of asymmetric graphene devices ({AGDs}).
          , 
            
              Self-consistent charge density functional tight-binding ({DFTB}) calculations have been performed to investigate the electrical properties and transport behavior of asymmetric graphene devices ({AGDs}). Three different nanodevices constructed of different necks of 8 nm, 6 nm and 4 nm, named Graphene-N8, Graphene-N6 and Graphene-N4, respectively, have been proposed. All devices have been tested under two conditions of zero gate voltage and an applied gate voltage of +20 V using a dielectric medium of 3.9 epsilon interposed between the graphene and the metallic gate. As expected, the results of {AGD} diodes exhibited strong asymmetric
              I
              (
              V
              ) characteristic curves in good agreement with the available experimental data. Our predictions implied that Graphene-N4 would achieve great asymmetry (
              A
              ) of 1.40 at {\textbar}
              V
              {DS}
              {\textbar} = 0.2 V with maximum transmittance (
              T
              ) of 6.72 in the energy range 1.30 {eV}. More importantly, while the
              A
              of Graphene-N4 was slightly changed by applying the gate voltage, Graphene-N6/Graphene-N8 showed a significant effect with their
              A
              increased from 1.20/1.03 under no gate voltage ({NGV}) to 1.30/1.16 under gate voltage ({WGV}) conditions. Our results open up unprecedented numerical prospects for designing tailored geometric diodes.},
	pages = {1548--1555},
	number = {5},
	journaltitle = {Nanoscale Advances},
	shortjournal = {Nanoscale Adv.},
	author = {Mohebbi, Elaheh and Pavoni, Eleonora and Pierantoni, Luca and Stipa, Pierluigi and Hemmetter, Andreas and Laudadio, Emiliano and Mencarelli, Davide},
	urldate = {2025-02-13},
	date = {2024},
	langid = {english},
}