Despite the potential in single- and multi-junction solar cells application, research into the wide band gap CuIn1−xGax(Se1−ySy)2 or CIG(SSe)2 solar cell material, with Eg≥1.5eV, has yet to be extensively performed to date. In this work, we conducted a numerical study into the role of the n-type layers in CIG(SSe)2 heterojunction solar cells, specifically concerning the maximum open-circuit voltage of the devices. In the first part of the study, we derived a new ideal open-circuit voltage equation for a thin-film heterojunction solar cell by taking into account the current contribution from the depletion region. The accuracy of the new equation was validated through a simulation model in the second part of the study. Another simulation model was also used to clarify the design rules of the n-type layer in a wide band gap CIG(SSe)2 solar cell. Our work stressed the importance of a positive conduction band offset on the n-/p-type interface, through the use of a low electron affinity n-type material for a solar cell with a high open-circuit voltage. Through a precise selection of the window layer material, a buffer-free CIG(SSe)2 design is sufficient to fulfill such conditions. We also proposed the specific roles of the n-type layer, i.e., as a passivation layer and selective electron contact, in the operation of CIGS2 solar cells.
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