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Title: Ti-Alloying of BaZrS 3 Chalcogenide Perovskite for Photovoltaics

Abstract

BaZrS3, a prototypical chalcogenide perovskite, has been shown to possess a direct band gap, an exceptionally strong near band edge light absorption, and good carrier transport. Coupled with its great stability, nontoxicity with earth-abundant elements, it is thus a promising candidate for thin film solar cells. However, its reported band gap in the range of 1.7–1.8 eV is larger than the optimal value required to reach the Shockley–Queisser limit of a single-junction solar cell. Here, we report the synthesis of Ba(Zr1–xTix)S3 perovskite compounds with a reduced band gap. It is found that Ti-alloying is extremely effective in band gap reduction of BaZrS3: a mere 4 atom % alloying decreases the band gap from 1.78 to 1.51 eV, resulting in a theoretical maximum power conversion efficiency of 32%. Higher Ti-alloying concentration is found to destabilize the distorted chalcogenide perovskite phase.

Authors:
 [1];  [1];  [1];  [2]; ORCiD logo [2]; ORCiD logo [3];  [4];  [5]; ORCiD logo [1]
  1. Department of Physics, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States
  2. Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States
  3. State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 201899, China
  4. Department of Materials Design and Innovation, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States
  5. Department of Physics, Applied Physics & Astronomy, Rensselaer Polytechnic Institute, Troy, New York 12180, United States
Publication Date:
Research Org.:
University at Buffalo, The State University of New York, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1643166
Alternate Identifier(s):
OSTI ID: 1645036
Grant/Contract Number:  
EE0007364
Resource Type:
Published Article
Journal Name:
ACS Omega
Additional Journal Information:
Journal Name: ACS Omega Journal Volume: 5 Journal Issue: 30; Journal ID: ISSN 2470-1343
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Granular materials; Physical and chemical processes; Solar cells; Electrical conductivity; Perovskites

Citation Formats

Wei, Xiucheng, Hui, Haolei, Perera, Samanthe, Sheng, Aaron, Watson, David F., Sun, Yi-Yang, Jia, Quanxi, Zhang, Shengbai, and Zeng, Hao. Ti-Alloying of BaZrS 3 Chalcogenide Perovskite for Photovoltaics. United States: N. p., 2020. Web. https://doi.org/10.1021/acsomega.0c00740.
Wei, Xiucheng, Hui, Haolei, Perera, Samanthe, Sheng, Aaron, Watson, David F., Sun, Yi-Yang, Jia, Quanxi, Zhang, Shengbai, & Zeng, Hao. Ti-Alloying of BaZrS 3 Chalcogenide Perovskite for Photovoltaics. United States. https://doi.org/10.1021/acsomega.0c00740
Wei, Xiucheng, Hui, Haolei, Perera, Samanthe, Sheng, Aaron, Watson, David F., Sun, Yi-Yang, Jia, Quanxi, Zhang, Shengbai, and Zeng, Hao. Fri . "Ti-Alloying of BaZrS 3 Chalcogenide Perovskite for Photovoltaics". United States. https://doi.org/10.1021/acsomega.0c00740.
@article{osti_1643166,
title = {Ti-Alloying of BaZrS 3 Chalcogenide Perovskite for Photovoltaics},
author = {Wei, Xiucheng and Hui, Haolei and Perera, Samanthe and Sheng, Aaron and Watson, David F. and Sun, Yi-Yang and Jia, Quanxi and Zhang, Shengbai and Zeng, Hao},
abstractNote = {BaZrS3, a prototypical chalcogenide perovskite, has been shown to possess a direct band gap, an exceptionally strong near band edge light absorption, and good carrier transport. Coupled with its great stability, nontoxicity with earth-abundant elements, it is thus a promising candidate for thin film solar cells. However, its reported band gap in the range of 1.7–1.8 eV is larger than the optimal value required to reach the Shockley–Queisser limit of a single-junction solar cell. Here, we report the synthesis of Ba(Zr1–xTix)S3 perovskite compounds with a reduced band gap. It is found that Ti-alloying is extremely effective in band gap reduction of BaZrS3: a mere 4 atom % alloying decreases the band gap from 1.78 to 1.51 eV, resulting in a theoretical maximum power conversion efficiency of 32%. Higher Ti-alloying concentration is found to destabilize the distorted chalcogenide perovskite phase.},
doi = {10.1021/acsomega.0c00740},
journal = {ACS Omega},
number = 30,
volume = 5,
place = {United States},
year = {2020},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1021/acsomega.0c00740

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