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

Saparov, Bayrammurad; Sun, Jon-Paul; Meng, Weiwei; Xiao, Zewen; Duan, Hsin-Sheng; Gunawan, Oki; Shin, Donghyeop; Hill, Ian G.; Yan, Yanfa; Mitzi, David B.

doi:10.1021/acs.chemmater.6b00433

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

Journal Article · Sun Mar 13 00:00:00 EST 2016 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.6b00433· OSTI ID:1593763

Saparov, Bayrammurad ^[1]; Sun, Jon-Paul ^[2]; Meng, Weiwei ^[3]; Xiao, Zewen ^[3]; Duan, Hsin-Sheng ^[1]; Gunawan, Oki ^[4]; Shin, Donghyeop ^[1]; Hill, Ian G. ^[2]; Yan, Yanfa ^[3]; Mitzi, David B. ^[1]

Duke Univ., Durham, NC (United States)
Dalhousie Univ., Halifax, Nova Scotia (Canada). Dept. of Physics and Atmospheric Science
Univ. of Toledo, OH (United States). Dept. of Physics and Astronomy and Center for Photovoltaics Innovation and Commercialization
IBM T. J. Watson Research Center, Yorktown Heights, New York (United States)

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 CsSn_0.5I₃, with a structure consisting of isolated SnI₆^4- 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.

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Research Organization:: Duke Univ., Durham, NC (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); Natural Sciences and Engineering Research Council of Canada (NSERC); Canada Foundation for Innovation

Grant/Contract Number:: EE0006712; AC05-06OR23100; RGPIN-04809

OSTI ID:: 1593763

Journal Information:: Chemistry of Materials, Vol. 28, Issue 7; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 257 works

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Anion Distribution, Structural Distortion, and Symmetry-Driven Optical Band Gap Bowing in Mixed Halide Cs ₂ SnX ₆ Vacancy Ordered Double Perovskites Karim, Maham M. S.; Ganose, Alex M.; Pieters, Laura Chemistry of Materials, Vol. 31, Issue 22 https://doi.org/10.1021/acs.chemmater.9b03267	journal	November 2019
Stabilizing Lead-Free All-Inorganic Tin Halide Perovskites by Ion Exchange Jiang, Junke; Onwudinanti, Chidozie K.; Hatton, Ross A. The Journal of Physical Chemistry C, Vol. 122, Issue 31 https://doi.org/10.1021/acs.jpcc.8b04013	journal	July 2018

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