{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["12(34)"],"submitter":["He X"],"pubmed_abstract":["The short-circuit current density (<i>J</i> <sub>SC</sub>) 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 <sub><i>x</i></sub> S<sub>1-<i>x</i></sub> ternary layer during the high temperature deposition process of CdTe films. In this paper, the electronic properties of CdSe <sub><i>x</i></sub> S<sub>1-<i>x</i></sub> (0 ≤ <i>x</i> ≤ 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"],"journal":["RSC advances"],"pagination":["22188-22196"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9364174"],"repository":["biostudies-literature"],"pubmed_title":["First-principles investigation on the electronic structures of CdSe <sub><i>x</i></sub> S<sub>1-<i>x</i></sub> and simulation of CdTe solar cell with a CdSe <sub><i>x</i></sub> S<sub>1-<i>x</i></sub> window layer by SCAPS."],"pmcid":["PMC9364174"],"pubmed_authors":["Feng L","Wu L","Li C","Zhang J","He X","Tang P","Hao X","Du Z"],"additional_accession":[]},"is_claimable":false,"name":"First-principles investigation on the electronic structures of CdSe <sub><i>x</i></sub> S<sub>1-<i>x</i></sub> and simulation of CdTe solar cell with a CdSe <sub><i>x</i></sub> S<sub>1-<i>x</i></sub> window layer by SCAPS.","description":"The short-circuit current density (<i>J</i> <sub>SC</sub>) 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 <sub><i>x</i></sub> S<sub>1-<i>x</i></sub> ternary layer during the high temperature deposition process of CdTe films. In this paper, the electronic properties of CdSe <sub><i>x</i></sub> S<sub>1-<i>x</i></sub> (0 ≤ <i>x</i> ≤ 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","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Aug","modification":"2025-04-18T19:05:44.328Z","creation":"2025-04-07T06:45:14.202Z"},"accession":"S-EPMC9364174","cross_references":{"pubmed":["36043063"],"doi":["10.1039/d2ra03053e"]}}