First Principle Simulation for Electronic Structures and Transport Properties of Edge Doped Graphene Nanostructures for Applications in Glucose Sensors
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Date
2012-06
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Addis Ababa Universty
Abstract
Glucose as adsorbed species on edges of the graphene nanostructures are found to
create some significant variations among the nanostructure’s electronic properties and
the changes are fruitfully tapped for futuristic nano-sensing applications. The present
study is focused on ab-initio transport measurement for a nano-scale sensor which
comprises of either H or O-edge doped zigzag graphene nanoribbons (zGNRs). A
range of diverse transport phenomenon is observed by either variation of gating, edge
doping, and biomolecular (glucose) attachments or by a combination of all these
factors. Our results of these measurements point towards the suitability of ribbon’s
zigzag edges as glucose attachment sites for the sensing purpose. Furthermore,
transformations of conductivity, density of states, and current-voltage characteristics
are studied in the nanostructural two-dimensional forms of carbon with foreign atoms
doped in or in vicinity of the honeycomb lattice. In addition, we proposed some
capable sensing device architectures for exploiting the newly explored unique
functionalities. It is important to precisely control and study the density and character
of the charge carriers, nature of chemical doping, and biomolecular adsorbates for
tailoring the proposed in-vivo glucose sensor’s properties. First principle two probe
methods are used in this work for the nanodevice simulation in conjunction with
density functional theory (DFT) and nonequilibrium Green function (NEGF) methods
in a standard electron-correlation approximation scheme of local density (LDA).
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Keywords
edge doped graphene nanostructures