Photovoltaic properties of new solar cell based on ideal cubic NaNbO3 thin films: a combined experimental and density functional theory study

Abstract

We explore the photovoltaic properties of a novel homojunction solar cell based on NNO(p)/NNO(n) perovskite by employing a combination of material synthesis, characterization and density functional theory calculations that are novel ideas compared to those previously reported in the literature. The band structure reveals that NaNbO3 introduces a n-type semiconductor. Moreover, using DFT calculation, we created n-NNO by a simple substitution in the O site by 4.16% fluorine atoms. Experimental and DFT calculation reveals that NNO perovskite exhibits a direct bandgap of ∼1.6 eV, with a slightly larger two other direct bandgaps of ∼2.13 and 3.24 eV. After extracting the necessary parameters, an electrical modelization of an n-NNO/p-NNO solar cell is performed by Maple software revealed that the cell conversion efficiency can reach 17% which presents a first path to identify a new solar cell based only on perovskite material.