Transition metal-substituted lead halide perovskite absorbers

Sampson, M. D.; Park, J. S.; Schaller, R. D.; Chan, M. K. Y.; Martinson, A. B. F.

doi:10.1039/c6ta09745f

Title: Transition metal-substituted lead halide perovskite absorbers

Journal Article · Thu Jan 26 23:00:00 EST 2017 · Journal of Materials Chemistry. A

DOI: https://doi.org/10.1039/c6ta09745f · OSTI ID:1352552

^[1]; Park, J. S. ^[1]; Schaller, R. D. ^[1]; Chan, M. K. Y. ^[1];

^[1]

Argonne National Lab. (ANL), Argonne, IL (United States)

Here, lead halide perovskites have proven to be a versatile class of visible light absorbers that allow rapid access to the long minority carrier lifetimes and diffusion lengths desirable for traditional single-junction photovoltaics. We explore the extent to which the attractive features of these semiconductors may be extended to include an intermediate density of states for future application in multi-level solar energy conversion systems capable of exceeding the Shockley–Queisser limit. We computationally and experimentally explore the substitution of transition metals on the Pb site of MAPbX₃ (MA = methylammonium, X = Br or Cl) to achieve a tunable density of states within the parent gap. Computational screening identified both Fe- and Co-substituted MAPbBr₃ as promising absorbers with a mid-gap density of states, and the later films were synthesized via conventional solution-based processing techniques. First-principles density functional theory (DFT) calculations support the existence of mid-gap states upon Co incorporation and enhanced sub-gap absorption, which are consistent with UV-visible-NIR absorption spectroscopy. Strikingly, steady state and time-resolved PL studies reveal no sign of self-quenching for Co-substitution up to 25%, which suggest this class of materials to be a worthy candidate for future application in intermediate band photovoltaics.

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Research Organization:: Argonne National Laboratory (ANL)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1352552

Journal Information:: Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Journal Issue: 7 Vol. 5; ISSN JMCAET; ISSN 2050-7488

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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