Organic polymer nanocomposites blended with graphene nanostructures have recently attractedrnlot of scientific interest due to their novel heterojunction charge transport properties and forrnfabrication of solar cells with enhanced energy conversion efficiencies. Simulational studies ofrnelectronic and transport properties of polyaniline-graphene nanoribbon (PAn-GNR)rnnanocomposite systems have been performed in various conformations and in strict percolationrnregime. Ab-initio DFT-LDA-NEGF simulations have been carried out for at least sevenrncompositionally vivid samples of the PAn-GNR system with built-in two-probe devicerngeometries. As obtained density of states (DOS) and transmission spectra [T(E)] plots arernexamined for the charge transport behavior in these nano-systems. We have observed significantrnnumber of contributing states driven from contact electrodes in to the nanomaterial, which arerndescribed on the basis of Fano effects and as induced strong couplings. We have also studiedrnelectron and hole eigenstate conduction channels along with I–V measurements using Landauerrnrelations for these nanocomposites which help in understanding different modes of the chargerntransport. For some of the samples we have observed a negative differential resistance (NDR)rnphenomenon which is rightly explained. Diagnoses of the NDR phenomena in respect tornpresence of Fano states and other DOS and transmission singularities have been conceded.rnProspects of self-aligned PAN-GNR nanocomposites for solar cell applications have alsorndiscussed. The present study of nano devices would be helpful in understanding intrinsicrnproperties of photovoltaic materials in nano-devices for their futuristic deployment in nano-solar cells.