Abstract
Abstract
We comprehensively simulated the interface energetics at the Sb2Se3/CdS interfaces and showed its impact on device performance. The interface discontinuity, band bending at interface and energy level alignment generates interfaces issues and must be optimized for an optimal device performance. The design parameters for controlling interface. Metal contact work function preferably higher than electron affinity (EA) and Fermi level (EF) combined (EA + EF), should result in near Ohmic behaviour of contact. Secondly electron affinity of buffer could be tuned to achieve small positive conduction bandoffset (spike barrier) at absorber/buffer interface which lowers the chances of recombination through interface states. A pn
+ configuration with highly doped buffer layer, as compared to p-absorber, is favourable as it will extend depletion in absorber, providing additional drift to photo-generated carriers. Lastly, acceptor defect at Sb2Se3-CdS interface generate surface inversion and detrimental to performance. Donor defects occupying interface states are preferred condition for optimal device performance. We have compiled the optimal ranges for these controlling parameters, to achieve theoretically ideal values of energy level alignment and energetics, leading to optimal performance.