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Title: Vacancy-Ordered Double Perovskite Cs2TeI6 Thin Films for Optoelectronics

Abstract

Alternatives to lead- and tin-based perovskites for photovoltaics and optoelectronics are sought that do not suffer from the disadvantages of toxicity and low device efficiency of present-day materials. Here we report a study of the double perovskite Cs2TeI6, which we have synthesized in the thin film form for the first time. Exhaustive trials concluded that spin coating CsI and TeI4 using an antisolvent method produced uniform films, confirmed as Cs2 TeI 6 by XRD with Rietveld analysis. They were stable up to 250 °C and had an optical band gap of ~1.5 eV, absorption coefficients of ~6 × 104 cm–1, carrier lifetimes of ~2.6 ns (unpassivated 200 nm film), a work function of 4.95 eV, and a p-type surface conductivity. Vibrational modes probed by Raman and FTIR spectroscopy showed resonances qualitatively consistent with DFT Phonopy-calculated spectra, offering another route for phase confirmation. It was concluded that the material is a candidate for further study as a potential optoelectronic or photovoltaic material.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [6]; ORCiD logo [6]; ORCiD logo [1]
  1. Stephenson Institute for Renewable Energy, Deptartment of Physics, University of Liverpool, Chadwick Building, Peach Street, Liverpool L69 7ZF, United Kingdom
  2. Department of Mathematics, Physics and Electrical Engineering, Northumbria University, Newcastle upon Tyne NE1 8ST, United Kingdom
  3. Department of Chemistry, Lancaster University, Lancaster LA1 4YB, United Kingdom
  4. Department of Physics, Clarendon Laboratory, University of Oxford, Oxford OX1 3PU, United Kingdom, TIFR Centre for Interdisciplinary Sciences, Tata Institute of Fundamental Research, Hyderabad 500107, India
  5. Department of Physics, Clarendon Laboratory, University of Oxford, Oxford OX1 3PU, United Kingdom
  6. Department of Materials Science and Engineering, University of California, Berkeley, California 94720, United States
Publication Date:
Research Org.:
Univ. of Liverpool (United Kingdom)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; Engineering and Physical Sciences Research Council (EPSRC)
OSTI Identifier:
1643183
Alternate Identifier(s):
OSTI ID: 1647591
Grant/Contract Number:  
AC02-05CH11231; EP/P02484X/1; EP/L01551X/1
Resource Type:
Published Article
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Name: Chemistry of Materials Journal Volume: 32 Journal Issue: 15; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Coating materials; Hydrocarbons; Thin films; Aromatic compounds; Quantum mechanics

Citation Formats

Vázquez-Fernández, Isabel, Mariotti, Silvia, Hutter, Oliver S., Birkett, Max, Veal, Tim D., Hobson, Theodore D. C., Phillips, Laurie J., Danos, Lefteris, Nayak, Pabitra K., Snaith, Henry J., Xie, Wei, Sherburne, Matthew P., Asta, Mark, and Durose, Ken. Vacancy-Ordered Double Perovskite Cs2TeI6 Thin Films for Optoelectronics. United States: N. p., 2020. Web. https://doi.org/10.1021/acs.chemmater.0c02150.
Vázquez-Fernández, Isabel, Mariotti, Silvia, Hutter, Oliver S., Birkett, Max, Veal, Tim D., Hobson, Theodore D. C., Phillips, Laurie J., Danos, Lefteris, Nayak, Pabitra K., Snaith, Henry J., Xie, Wei, Sherburne, Matthew P., Asta, Mark, & Durose, Ken. Vacancy-Ordered Double Perovskite Cs2TeI6 Thin Films for Optoelectronics. United States. https://doi.org/10.1021/acs.chemmater.0c02150
Vázquez-Fernández, Isabel, Mariotti, Silvia, Hutter, Oliver S., Birkett, Max, Veal, Tim D., Hobson, Theodore D. C., Phillips, Laurie J., Danos, Lefteris, Nayak, Pabitra K., Snaith, Henry J., Xie, Wei, Sherburne, Matthew P., Asta, Mark, and Durose, Ken. Thu . "Vacancy-Ordered Double Perovskite Cs2TeI6 Thin Films for Optoelectronics". United States. https://doi.org/10.1021/acs.chemmater.0c02150.
@article{osti_1643183,
title = {Vacancy-Ordered Double Perovskite Cs2TeI6 Thin Films for Optoelectronics},
author = {Vázquez-Fernández, Isabel and Mariotti, Silvia and Hutter, Oliver S. and Birkett, Max and Veal, Tim D. and Hobson, Theodore D. C. and Phillips, Laurie J. and Danos, Lefteris and Nayak, Pabitra K. and Snaith, Henry J. and Xie, Wei and Sherburne, Matthew P. and Asta, Mark and Durose, Ken},
abstractNote = {Alternatives to lead- and tin-based perovskites for photovoltaics and optoelectronics are sought that do not suffer from the disadvantages of toxicity and low device efficiency of present-day materials. Here we report a study of the double perovskite Cs2TeI6, which we have synthesized in the thin film form for the first time. Exhaustive trials concluded that spin coating CsI and TeI4 using an antisolvent method produced uniform films, confirmed as Cs2 TeI 6 by XRD with Rietveld analysis. They were stable up to 250 °C and had an optical band gap of ~1.5 eV, absorption coefficients of ~6 × 104 cm–1, carrier lifetimes of ~2.6 ns (unpassivated 200 nm film), a work function of 4.95 eV, and a p-type surface conductivity. Vibrational modes probed by Raman and FTIR spectroscopy showed resonances qualitatively consistent with DFT Phonopy-calculated spectra, offering another route for phase confirmation. It was concluded that the material is a candidate for further study as a potential optoelectronic or photovoltaic material.},
doi = {10.1021/acs.chemmater.0c02150},
journal = {Chemistry of Materials},
number = 15,
volume = 32,
place = {United States},
year = {2020},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
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https://doi.org/10.1021/acs.chemmater.0c02150

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