Towards realistic modeling of plasmonic nanostructures: a comparative study to determine the impact of optical effects on solar cell improvement.

Plasmonic structures may improve cell performance in a variety of ways. More accurate determining of the optical influence, unlike ideal simulations, requires modeling closer to experimental cases. In this modeling and simulation, irregular nanostructures were chosen and divided into three groups and some modes. For each mode, different sizes of nanoparticles were randomly selected, which could result in pre-determined average particle size and standard deviation. By 3D finite-difference time-domain (3D-FDTD), the optical plasmonic properties of that mode in a solar cell structure were investigated when the nanostructure was added to the buffer/active layer of the organic solar cell. The far- and near-field results were used to compare the plasmonic behavior, relying on the material and geometry. By detailed simulations, Al and Ag nanostructure at the interface of the ZnO/active layer can improve organic solar cell performance optically, especially by the near-field effect. Unlike Au and relative Ag, the Al nanostructured sample showed less parasitic absorption loss. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s10825-021-01829-x.