4.8 Article

Zn(O,S) Buffer Layer for in Situ Hydrothermal Sb2S3 Planar Solar Cells

Journal

ACS APPLIED MATERIALS & INTERFACES
Volume 13, Issue 38, Pages 45726-45735

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acsami.1c12501

Keywords

Zn(O,S); in situ hydrothermal deposition; first-principles calculation; Cd-free; Sb2S3 solar cells

Funding

  1. National Natural Science Foundation of China [61974028, 11874113]
  2. Fundamental Research Funds for the Central University [2042021kf0069]
  3. Natural Science Foundation of Fujian Province of China [2020J02018]
  4. Fujian Normal University (FNU) Training Program of Innovation, Enterpreneurship for Undergraduates [cxxl-2019135, 2019140, 2019143]
  5. Fujian Provincial Engineering Technology Research Center of Solar Energy Conversion and Energy Storage [SECES2007]
  6. National Supercomputer Center in Tianjin

Ask authors/readers for more resources

Hydrothermal deposition is considered a promising method for antimony-based solar cells, with TiO2 evaluated as a potential Cd-free buffer layer, and Zn(O,S) effectively addressing the issue of inhomogeneous Sb2S3 coverage. The Zn(O,S)/Sb2S3 junction exhibits more stable structure and enhances the efficiency of the device compared to TiO2/Sb2S3.
Hydrothermal deposition is emerging as a highly potential route for antimony-based solar cells, in which the Sb-2(S,Se)(3) is typically in situ grown on a common toxic CdS buffer layer. The narrow band gap of CdS causes a considerable absorption in the short-wavelength region and then lowers the current density of the device. Herein, TiO2 is first evaluated as an alternative Cdfree buffer layer for hydrothermally derived Sb2S3 solar cells. But it suffers from a severely inhomogeneous Sb2S3 coverage, which is effectively eliminated by inserting a Zn(O,S) layer. The surface atom of sulfur in Zn(O,S) uniquely provides a chemical bridge to enable the quasi-epitaxial deposition of Sb2S3 thin film, confirming by both morphology and binding energy analysis using DFT. Then the results of the first-principles calculations also show that Zn(O,S)/Sb2S3 has a more stable structure than TiO2/Sb2S3. The resultant perfect Zn(O,S)/Sb2S3 junction, with a suitable band alignment and excellent interface contact, delivers a remarkably enhanced JSC and VOC for Sb2S3 solar cells. The device efficiency with the TiO2/Zn(O,S) buffer layer boosts from 0.54% to 3.70% compared with the counterpart of TiO2, which has a champion efficiency of Cd-free Sb2S3 solar cells with a structure of ITO/TiO2/Zn(O,S)/Sb2S3/Carbon/Ag by in situ hydrothermal deposition. This work provides a guideline for the hydrothermal deposition of antimony-based films upon a nontoxic buffer layer.

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