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Title: Thin-Film Deposition and Characterization of a Sn-Deficient Perovskite Derivative Cs2SnI6

Abstract

In this work, we describe details of a two-step deposition approach that enables the preparation of continuous and well-structured thin films of Cs2SnI6, which is a one-half Sn-deficient 0-D perovskite derivative (i.e., the compound can also be written as CsSn0.5I3, with a structure consisting of isolated SnI64- octahedra). The films were characterized using powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), UV-Vis spectroscopy, photoluminescence (PL), photoelectron spectroscopy (UPS, IPES, XPS) and Hall effect measurements. UV-Vis and PL measurements indicate that the obtained Cs2SnI6 film is a semiconductor with a band gap of 1.6 eV. This band gap was further confirmed by the UPS and IPES spectra, which were well reproduced by the calculated density of states with the HSE hybrid functional. The Cs2SnI6 films exhibited n-type conduction with a carrier density of 6(1) × 1016 cm-3 and mobility of 2.9(3) cm2/V·s. While the computationally-derived band structure for Cs2SnI6 shows significant dispersion along several directions in the Brillouin zone near the band edges, the valence band is relatively flat along the $Γ$–X direction, indicative of a more limited hole minority carrier mobility compared to analogous values for the electrons. The ionization potential (IP) and electron affinity (EA) weremore » determined to be 6.4 and 4.8 eV, respectively. The Cs2SnI6 films show some enhanced stability under ambient air, compared to methylammonium lead (II) iodide perovskite films stored under similar conditions; however, the films do decompose slowly, yielding a CsI impurity. We discuss these findings in the context of suitability of Cs2SnI6 for photovoltaic and related optoelectronic applications.« less

Authors:
 [1];  [2];  [3];  [3];  [1];  [4];  [1];  [2];  [3];  [1]
  1. Duke Univ., Durham, NC (United States)
  2. Dalhousie Univ., Halifax, Nova Scotia (Canada). Dept. of Physics and Atmospheric Science
  3. Univ. of Toledo, OH (United States). Dept. of Physics and Astronomy and Center for Photovoltaics Innovation and Commercialization
  4. IBM T. J. Watson Research Center, Yorktown Heights, New York (United States)
Publication Date:
Research Org.:
Duke Univ., Durham, NC (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE); Natural Sciences and Engineering Research Council of Canada (NSERC); Canada Foundation for Innovation
OSTI Identifier:
1593763
Grant/Contract Number:  
EE0006712; AC05-06OR23100; RGPIN-04809
Resource Type:
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 28; Journal Issue: 7; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Saparov, Bayrammurad, Sun, Jon-Paul, Meng, Weiwei, Xiao, Zewen, Duan, Hsin-Sheng, Gunawan, Oki, Shin, Donghyeop, Hill, Ian G., Yan, Yanfa, and Mitzi, David B.. Thin-Film Deposition and Characterization of a Sn-Deficient Perovskite Derivative Cs2SnI6. United States: N. p., 2016. Web. https://doi.org/10.1021/acs.chemmater.6b00433.
Saparov, Bayrammurad, Sun, Jon-Paul, Meng, Weiwei, Xiao, Zewen, Duan, Hsin-Sheng, Gunawan, Oki, Shin, Donghyeop, Hill, Ian G., Yan, Yanfa, & Mitzi, David B.. Thin-Film Deposition and Characterization of a Sn-Deficient Perovskite Derivative Cs2SnI6. United States. https://doi.org/10.1021/acs.chemmater.6b00433
Saparov, Bayrammurad, Sun, Jon-Paul, Meng, Weiwei, Xiao, Zewen, Duan, Hsin-Sheng, Gunawan, Oki, Shin, Donghyeop, Hill, Ian G., Yan, Yanfa, and Mitzi, David B.. Sun . "Thin-Film Deposition and Characterization of a Sn-Deficient Perovskite Derivative Cs2SnI6". United States. https://doi.org/10.1021/acs.chemmater.6b00433. https://www.osti.gov/servlets/purl/1593763.
@article{osti_1593763,
title = {Thin-Film Deposition and Characterization of a Sn-Deficient Perovskite Derivative Cs2SnI6},
author = {Saparov, Bayrammurad and Sun, Jon-Paul and Meng, Weiwei and Xiao, Zewen and Duan, Hsin-Sheng and Gunawan, Oki and Shin, Donghyeop and Hill, Ian G. and Yan, Yanfa and Mitzi, David B.},
abstractNote = {In this work, we describe details of a two-step deposition approach that enables the preparation of continuous and well-structured thin films of Cs2SnI6, which is a one-half Sn-deficient 0-D perovskite derivative (i.e., the compound can also be written as CsSn0.5I3, with a structure consisting of isolated SnI64- octahedra). The films were characterized using powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), UV-Vis spectroscopy, photoluminescence (PL), photoelectron spectroscopy (UPS, IPES, XPS) and Hall effect measurements. UV-Vis and PL measurements indicate that the obtained Cs2SnI6 film is a semiconductor with a band gap of 1.6 eV. This band gap was further confirmed by the UPS and IPES spectra, which were well reproduced by the calculated density of states with the HSE hybrid functional. The Cs2SnI6 films exhibited n-type conduction with a carrier density of 6(1) × 1016 cm-3 and mobility of 2.9(3) cm2/V·s. While the computationally-derived band structure for Cs2SnI6 shows significant dispersion along several directions in the Brillouin zone near the band edges, the valence band is relatively flat along the $Γ$–X direction, indicative of a more limited hole minority carrier mobility compared to analogous values for the electrons. The ionization potential (IP) and electron affinity (EA) were determined to be 6.4 and 4.8 eV, respectively. The Cs2SnI6 films show some enhanced stability under ambient air, compared to methylammonium lead (II) iodide perovskite films stored under similar conditions; however, the films do decompose slowly, yielding a CsI impurity. We discuss these findings in the context of suitability of Cs2SnI6 for photovoltaic and related optoelectronic applications.},
doi = {10.1021/acs.chemmater.6b00433},
journal = {Chemistry of Materials},
number = 7,
volume = 28,
place = {United States},
year = {2016},
month = {3}
}

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