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DOE OSTI2020

Materials Data on CsSn by Materials Project

CsSn crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six equivalent Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.06–4.21 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to eight equivalent Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.09–4.19 Å. Sn is bonded in a 10-coordinate geometry to seven Cs and three equivalent Sn atoms. There are one shorter (2.99 Å) and two longer (3.00 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CsSn by Materials Project

CsSn crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Cs–Sn bond distances ranging from 3.91–4.18 Å. In the second Cs site, Cs is bonded in a 6-coordinate geometry to six Sn atoms. There are three shorter (4.05 Å) and three longer (4.17 Å) Cs–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three equivalent Sn atoms. There are two shorter (2.98 Å) and one longer (3.01 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.99 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Tin–Lead Alloying for Efficient and Stable All-Inorganic Perovskite Solar Cells

Cesium containing all-inorganic perovskites have received considerable interest in photovoltaics research because of their potential for improved stability compared to their organic-inorganic hybrid counterparts. However, the inorganic perovskites studied thus far still suffer from lower power conversion efficiency and long-term instability, due to an unfavorable bandgap and either phase instability or air-sensitivity. Herein, A strategy to mitigate these concerns is investigated by alloying tin and lead on the B site to form tin-lead alloyed low-bandgap (~1.34 eV) inorganic CsSn 0.3 Pb 0.7 I 3 perovskites. Solar cells made using this material in an inverted full-structured architecture with a PEDOT:PSS hole transport materials (HTM) attain power conversion efficiency (PCE) up to 9.41% (stabilized PCE 7.23%). Furthermore, a simple HTM-free device without PEDOT:PSS layer is demonstrated more stable than the full-structured device and exhibits a PCE of 7.60% (stabilized PCE 7.31%) – the highest efficiency to date for an inorganic perovskite with a bandgap below 1.40 eV. This simplified device structure shows good reproducibility and stability. Finally, this work provides a possible route for fabricating low-cost, high stability devices with competitive efficiencies.

14 SOLAR ENERGY↗