The Role of Dimethylammonium in Bandgap Modulation for Stable Halide Perovskites

Eperon, Giles E.; Stone, Kevin H.; Mundt, Laura E.; Schloemer, Tracy H.; Habisreutinger, Severin N.; Dunfield, Sean P.; Schelhas, Laura T.; Berry, Joseph J.; Moore, David T.

doi:10.1021/acsenergylett.0c00872

The Role of Dimethylammonium in Bandgap Modulation for Stable Halide Perovskites

Journal Article · Tue May 19 00:00:00 EDT 2020 · ACS Energy Letters

DOI:https://doi.org/10.1021/acsenergylett.0c00872· OSTI ID:1647460

^[1]; ^[2]; Mundt, Laura E. ^[2]; ^[3]; ^[4]; Dunfield, Sean P. ^[5]; ^[2]; ^[4]; Moore, David T. ^[4]

National Renewable Energy Lab. (NREL), Golden, CO (United States); Swift Solar Inc., San Carlos, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Colorado School of Mines, Golden, CO (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States); Univ. of Colorado, Boulder, CO (United States)

Halide perovskites with bandgaps of 1.70–1.85 eV are of interest for multijunction photovoltaics. Mixing halides on the X site of the ABX3-structured perovskite system is a common way to reach these bandgaps, but this method introduces phase segregation pathways, limiting photovoltage. Recently, a new strategy for increasing the bandgap has been introduced, where cations normally too large to fit into the lattice, but compensated by smaller cations, are substituted on the A site. The mechanism underlying the increase of the bandgap with this strategy remained an open question. Here, we show that by partial substitution of the large dimethylammonium (DMA) cation at the A site of FA_xCs_1–xPbI_yBr_3–y perovskites, a bandgap increase is observed not only when DMA is compensated by smaller Cs cations but also when only DMA is added, which is accompanied by an expansion of the crystal lattice. Our experimental findings suggest that adding DMA is causing an unexpected tilt in the perovskite octahedra, increasing the bandgap. Efficient solar cells based on 1.73 eV DMA-incorporated materials are extremely stable, retaining 96% of their original efficiency over 2200 h at 85 °C in the dark and 92% of their original efficiency after operation at 60 °C for 500 h. Finally, this octahedral tilting strategy is a promising route for attaining efficient and stable wide bandgap perovskite solar cells.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515; AC36-08GO28308

OSTI ID:: 1647460

Alternate ID(s):: OSTI ID: 1660003

Journal Information:: ACS Energy Letters, Journal Name: ACS Energy Letters Journal Issue: 6 Vol. 5; ISSN 2380-8195

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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