A new study of the optical and structural characterization properties of p-type ZnS₂ pyrite with an application in solar energy

Abstract

In this manuscript, we study the grouping of bands and optical properties of p-type ZnS_2 pyrite, which helps us in the study of crystal p-type ZnS_2 pyrite and its impact in organic photovoltaic cells. Our work has two approaches one theorical where we find the band structure of p-type ZnS_2 by using linear muffin-tin orbital method in the atomic-sphere approximation (LMTO-ASA), the second approach is the experimental where we prepare the crystals by chemical vapor transport. Our sample was examined by XRD and optical characterizations. Our results show that the p-type ZnS_2 pyrite is a direct semiconductor with optical gap about 1.610 eV and calculated gap about 1.550 eV. In closing, we present an application of our work to photovoltaic devises.

Impact of alloying iron pyrite by ruthenium on its band gap values and its insight to photovoltaic performance

“…They found that the band gap of pyrite increases with add some percentage of Ru or Os. Also Jun Hu et al [ 40 ] investigated by using DFT calculation, iron pyrite alloyed with oxygen; their obtained band gap shows an increase to 1.52 eV RuS2 pyrite has an indirect band gap [ [41] , [42] , [43] , [44] ], while Iron pyrite has a direct band gap [ [45] , [46] , [47] , [48] , [49] ]. Also, some other new theoretical study done in Ref.…”