Beilstein J. Nanotechnol.2019,10, 644–653, doi:10.3762/bjnano.10.64
. Thus, the energy dispersion relation of AGNR is developed considering the molecular adsorption effect using a tight binding (TB) method. The carriervelocity is calculated based on the density of states (DOS) and carrier concentration (n) to obtain I–V characteristics and to monitor its variation in
the AGNR sensor that are simulated based both on the proposed model and first principles calculations are compared, and an acceptable agreement is achieved.
Keywords: armchair graphene nanoribbons; carriervelocity; gas sensor; I–V characteristics; molecular adsorption; Introduction
The unique
path forward to overcome the constraints of experimental approaches. The adsorption of gas molecules can modulate different electrical and physical properties of the GNRs, such as density of states (DOS), carrier concentration, carriervelocity, I–V characteristics, and energy band structure. On the
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Figure 1:
Illustration of the gas molecule adsorption on the armchair graphene nanoribbon (AGNR) unit cell.