Electronic transport properties of electrically doped cytosine‐based optical molecular switch with single‐wall carbon nanotube electrodes. Issue 5 (17th April 2019)

• Record Type: Journal Article
• Authors: Dey, Debarati; Roy, Pradipta; De, Debashis
• Is Part Of: IET nanobiotechnology. Volume 13:Issue 5(2019)
• Page Start: 484
• Page End: 492
• Publication Date: 2019-04-17
• Subjects: ballistic transport -- organic compounds -- Green's function methods -- ab initio calculations -- density functional theory -- molecular biophysics -- optical switches -- single‐wall carbon nanotubes -- electrochemical electrodes; electrical doping process -- cytosine biomolecule -- electronic transport properties -- single‐wall carbon nanotube electrodes -- cytosine‐based optical molecular switch -- density functional theory -- electronic transmission -- HOMO‐LUMO gaps -- current–voltage characteristics -- biomolecular switching behaviour -- quantum–ballistic transport property model -- electrically doped cytosine‐based optical molecular switch -- first principle approach -- nonequilibrium Green's function -- I‐V characteristics -- highest occupied molecular orbital–lowest unoccupied molecular orbital gaps -- single ON–OFF switching cycle -- photoexcitement -- frequency 25.0 THz -- voltage 1.0 V -- C; Biotechnology -- Periodicals; Nanotechnology -- Periodicals; 660.6
• DOI: 10.1049/iet-nbt.2018.5375
• Languages: English
• ISSNs: 1751-8741

Abstract

Abstract : This study represents an empirical model of cytosine‐based optical molecular switch. This possible biomolecular switch has been designed using the first principle approach which is based on density functional theory and non‐equilibrium Green's function. The quantum‐ballistic transport property and current–voltage (I–V) characteristics of cytosine‐based optomolecular switch have been investigated at 25 THz operating frequency. The influence of highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) gaps on the electronic transmission and I–V characteristics has been discussed in detail. The aim of this study is to highlight the minimum conformational change during a single ON–OFF switching cycle. The biomolecule comprises switching behaviour when converts from straightened to twisted form during photo‐excitement. The straightened and twisted forms of the molecule are represented as logic '0' and logic '1', respectively. This p and n regions of this switch has been made using electrical doping process. The current through the twisted form of the cytosine biomolecule is ∼1000 times higher than the straightened form. The maximum switching ratio 62.1 is obtained at 1 V bias. The origin of the switching behaviour of the biomolecule can be interpreted by quantum–ballistic transport model along with HOMO–LUMO gaps.