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

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

Journal Article · Sat Mar 12 23:00:00 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 ^[4]; Gunawan, Oki ^[5]; Shin, Donghyeop ^[4]; Hill, Ian G. ^[2]; Yan, Yanfa ^[3]; Mitzi, David B. ^[4]

Duke Univ., Durham, NC (United States); Duke University
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
Duke Univ., Durham, NC (United States)
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.

View Accepted Manuscript (DOE)

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

OSTI ID:: 1593763

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

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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A high performance UV–visible dual-band photodetector based on an inorganic Cs ₂ SnI ₆ perovskite/ZnO heterojunction structure Shao, Dali; Zhu, Weiguang; Xin, Guoqing Journal of Materials Chemistry C, Vol. 8, Issue 5 https://doi.org/10.1039/c9tc05940g	journal	January 2020
Highly efficient perovskite solar cells by tuning electronic structures of thienothiophene-based as hole transport materials Han, Bingjie; Li, Zhuo; Li, Yuanzuo Molecular Physics https://doi.org/10.1080/00268976.2019.1644383	journal	July 2019
Research progress on organic–inorganic halide perovskite materials and solar cells Ono, Luis K.; Qi, Yabing Journal of Physics D: Applied Physics, Vol. 51, Issue 9 https://doi.org/10.1088/1361-6463/aaa727	journal	February 2018
Tin fluoride assisted growth of air stable perovskite derivative Cs ₂ SnI ₆ thin film as a hole transport layer Thi Dao Lien, Thach; Dai, Nguyen Tien; Thanh, Nguyen Tien Materials Research Express, Vol. 6, Issue 11 https://doi.org/10.1088/2053-1591/ab4d85	journal	September 2019
Morphologically Controlled Synthesis of Cs2SnCl6 Perovskite Crystals and Their Photoluminescence Activity Zhang, Hongdan; Zhu, Ludan; Cheng, Jun Crystals, Vol. 9, Issue 5 https://doi.org/10.3390/cryst9050258	journal	May 2019

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