Project Description:

Inorganic chalcogenide distorted perovskites (DP) and related family of compounds (the ABX3 family with A cation being Ca, Sr, and Ba; and tetravalent B cation Ti, Zr, Hf, Ge, Sn and X = S, Se) composed of earth abundant elements hold the promise of high performance that are at par with the currently popular lead halide perovskites (LHPs). However, unlike LHPs, which have poor stability in air and under operating conditions, BaZrS3 and SrZrS3 DPs have been found to be very stable in air (up to 600°C), moisture and water. However, in the literature, only a handful of these chalcogenides have been synthesized and that too generally under extremely high temperature conditions, which has limited studies of their properties. Therefore, these class compounds, and their alloys, provide a rich and largely unexplored material space that has exciting possibilities for tailoring structural and optoelectronic properties over a wide range of values with potential for unprecedent impact. The postdoctoral fellow will perform an extensive and systematic study to 1: Discover new synthetic organometallic and inorganic pathways using solution-based precursors for the entire class of these chalcogenide DPs and their alloys to establish structure–property–stability relationships; and 2: Tailor optoelectronic properties (light absorption, defect energy levels, carrier concentrations, carrier and lattice dynamics etc.) by manipulating chemical bonding and [BX6]8- octahedral motifs. Recently, collaboration between Bart and Agrawal has led to the identification of two solution-based synthesis routes for BaBS3 (B = Ti, Zr, Hf) materials at relatively low temperatures (T≤ 575 ºC) and provides a unique opportunity for further exploration to make unprecedented impact using materials composed of earth abundant elements.

Start Date:

January 2023

Postdoc Qualifications:

A PhD in inorganic and organometallic synthesis chemistry related field is preferred. In general, an extensive knowledge in inorganic and organometallic synthesis along with general interest in materials for electronic applications is required. Candidates with solution-based as well as alternate methods of synthesis are invited to apply. Knowledge of solar cells/optoelectronic devices is desirable but not essential.

Co-Advisors:

Rakesh Agrawal, email: agrawalr@purdue.edu; Davidson School of Chemical Engineering, Group URL: https://engineering.purdue.edu/ChE/people/ptProfile?resource_id=3942
Suzanne Bart, email: sbart@purdue.edu; Department of Chemistry, Group URL: https://www.chem.purdue.edu/bart/suzanne.html

Bibliography:

1. Swapnil D. Deshmukh, Leah F. Easterling, Jeremy M. Manheim, Nicole J. LiBretto, Kyle G. Weideman, Jeffrey T. Miller, Hilkka I. Kenttämaa, and Rakesh Agrawal, Analyzing and Tuning the Chalcogen–Amine–Thiol Complexes for Tailoring of Chalcogenide Syntheses, Inorg. Chem. 2020, 59, 12, 8240–8250
2. Xin Zhao, Swapnil D. Deshmukh, David J. Rokke, Guanghui Zhang, Zhenwei Wu, Jeffrey T. Miller, and Rakesh Agrawal, Investigating Chemistry of Metal Dissolution in Amine–Thiol Mixtures and Exploiting It toward Benign Ink Formulation for Metal Chalcogenide Thin Films, Chem. Mater. 2019, 31, 15, 5674–5682
3. Qijie Guo, Grayson M. Ford, Wei-Chang Yang, Bryce C. Walker, Eric A. Stach, Hugh W. Hillhouse, and Rakesh Agrawal, Fabrication of 7.2% Efficient CZTSSe Solar Cells Using CZTS Nanocrystals, J. Am. Chem. Soc. 2010, 132, 49, 17384–17386
4. Jerod M. Kieser, Leighton O. Jones, Nathan J. Lin, Matthias Zeller, George C. Schatz, and Suzanne C. Bart, Synthesis and Characterization of Tellurium Catecholates and Their N‑Oxide Adducts, Inorg. Chem. 2021, 60, 3460–3470.
5. Tyler S.Collins, Cristian Celis-Barros, María J.Beltrań-Leiva, Nickolas H.Anderson, Matthias Zeller, Thomas Albrecht-Schönzart, and Suzanne C. Bart, Origin of Bond Elongation in a Uranium(IV) cis-Bis(imido) Complex, Inorg. Chem. 2020, 59, 18461-18468