First Principle Simulation For Electronic Structures And Transport Properties Of Edge Doped Graphene Nanostructures For Applications In Glucose Sensors
Glucose as adsorbed species on edges of the graphene nanostructures are found torncreate some significant variations among the nanostructure’s electronic properties andrnthe changes are fruitfully tapped for futuristic nano-sensing applications. The presentrnstudy is focused on ab-initio transport measurement for a nano-scale sensor whichrncomprises of either H or O-edge doped zigzag graphene nanoribbons (zGNRs). Arnrange of diverse transport phenomenon is observed by either variation of gating, edgerndoping, and biomolecular (glucose) attachments or by a combination of all thesernfactors. Our results of these measurements point towards the suitability of ribbon’srnzigzag edges as glucose attachment sites for the sensing purpose. Furthermore,rntransformations of conductivity, density of states, and current-voltage characteristicsrnare studied in the nanostructural two-dimensional forms of carbon with foreign atomsrndoped in or in vicinity of the honeycomb lattice. In addition, we proposed somerncapable sensing device architectures for exploiting the newly explored uniquernfunctionalities. It is important to precisely control and study the density and characterrnof the charge carriers, nature of chemical doping, and biomolecular adsorbates forrntailoring the proposed in-vivo glucose sensor’s properties. First principle two probernmethods are used in this work for the nanodevice simulation in conjunction withrndensity functional theory (DFT) and nonequilibrium Green function (NEGF) methodsrnin a standard electron-correlation approximation scheme of local density (LDA).