First-principles investigation on the electronic structures of CdSe _x S_1-x and simulation of CdTe solar cell with a CdSe _x S_1-x window layer by SCAPS.

ABSTRACT: The short-circuit current density (J _SC) of CdTe solar cells both in the short and long wavelength regions can be effectively enhanced by using CdS/CdSe as the composite window layer. CdS/CdSe composite layers would interdiffuse to form the CdSe _x S_1-x ternary layer during the high temperature deposition process of CdTe films. In this paper, the electronic properties of CdSe _x S_1-x (0 ≤ x ≤ 1) ternary alloys are investigated by first-principles calculation based on the density functional theory (DFT) and the performance of CdS/CdSe/CdTe devices are modeled by SCAPS to reveal why CdS/CdSe complex layers have good effects. The calculation results show that the position of the valence band of CdSe

SUBMITTER: He X 

PROVIDER: S-EPMC9364174 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature