skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Journal Article · · Chemistry of Materials
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

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.

Research Organization:
Univ. of Liverpool (United Kingdom)
Sponsoring Organization:
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)
Grant/Contract Number:
AC02-05CH11231; EP/P02484X/1; EP/L01551X/1
OSTI ID:
1643183
Alternate ID(s):
OSTI ID: 1647591
Journal Information:
Chemistry of Materials, Journal Name: Chemistry of Materials Vol. 32 Journal Issue: 15; ISSN 0897-4756
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English

References (39)

Chemical Management for Colorful, Efficient, and Stable Inorganic–Organic Hybrid Nanostructured Solar Cells journal March 2013
On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system journal January 2016
Lead-free mesoscopic Cs 2 SnI 6 perovskite solar cells using different nanostructured ZnO nanorods as electron transport layers journal June 2016
Interatomic force constants from first principles: The case of α-quartz journal November 1994
Biochemistry of tellurium journal December 1996
Sequential deposition as a route to high-performance perovskite-sensitized solar cells journal July 2013
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells journal May 2009
Review of recent progress in chemical stability of perovskite solar cells journal December 2014
Recent advances in magnetic structure determination by neutron powder diffraction journal October 1993
Solution processing of air-stable molecular semiconducting iodosalts, Cs 2 SnI 6−x Br x , for potential solar cell applications journal January 2017
First principles phonon calculations in materials science journal November 2015
Photovoltaic mixed-cation lead mixed-halide perovskites: links between crystallinity, photo-stability and electronic properties journal January 2017
Perovskite solar cells: Materials, configurations and stability journal February 2018
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation journal July 2013
Thin-Film Deposition and Characterization of a Sn-Deficient Perovskite Derivative Cs 2 SnI 6 journal March 2016
Raman studies of A 2 MWO 6 tungstate double perovskites journal January 2015
X-ray studies of SnO2 prepared by chemical vapour deposition journal August 1986
Stability and Performance of CsPbI 2 Br Thin Films and Solar Cell Devices journal January 2018
Formamidinium lead trihalide: a broadly tunable perovskite for efficient planar heterojunction solar cells journal January 2014
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal April 2008
Understanding of perovskite crystal growth and film formation in scalable deposition processes journal January 2020
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites journal October 2012
Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs 2 SnI 6 and Cs 2 TeI 6 journal June 2016
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory journal April 1997
Optical-Vibrational Properties of the Cs 2 SnX 6 (X = Cl, Br, I) Defect Perovskites and Hole-Transport Efficiency in Dye-Sensitized Solar Cells journal May 2016
From Nano- to Micrometer Scale: The Role of Antisolvent Treatment on High Performance Perovskite Solar Cells journal April 2017
Investigation of CH 3 NH 3 PbI 3 Degradation Rates and Mechanisms in Controlled Humidity Environments Using in Situ Techniques journal January 2015
Computational Study of Halide Perovskite-Derived A 2 BX 6 Inorganic Compounds: Chemical Trends in Electronic Structure and Structural Stability journal September 2017
A profile refinement method for nuclear and magnetic structures journal June 1969
Role of Microstructure in Oxygen Induced Photodegradation of Methylammonium Lead Triiodide Perovskite Films journal July 2017
Progress on lead-free metal halide perovskites for photovoltaic applications: a review journal March 2017
Overcoming Zinc Oxide Interface Instability with a Methylammonium‐Free Perovskite for High‐Performance Solar Cells journal June 2019
Air-Stable Molecular Semiconducting Iodosalts for Solar Cell Applications: Cs2SnI6 as a Hole Conductor
  • Lee, Byunghong; Stoumpos, Constantinos C.; Zhou, Nanjia
  • Journal of the American Chemical Society, Vol. 136, Issue 43, p. 15379-15385 https://doi.org/10.1021/ja508464w
journal October 2014
Tin- and Lead-Based Perovskite Solar Cells under Scrutiny: An Environmental Perspective journal September 2015
Recent Advances in Sensitized Mesoscopic Solar Cells journal November 2009
Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9% journal August 2012
Lead-free organic–inorganic tin halide perovskites for photovoltaic applications journal January 2014
Tellurium: an element with great biological potency and potential journal January 2010
Optical properties and electronic structure of amorphous Ge and Si journal January 1968