TY - JOUR
T1 - Fundamentals of tin iodide perovskites
T2 - A promising route to highly efficient, lead-free solar cells
AU - Filippetti, A.
AU - Kahmann, S.
AU - Caddeo, C.
AU - Mattoni, A.
AU - Saba, M.
AU - Bosin, A.
AU - Loi, M. A.
N1 - Funding Information:
Work supported by Fondazione di Sardegna through project 2F20000210007 ‘Perovskite materials for photovoltaics’, and by project PRIN 2017 “TOPSPIN”, funded by Italian Ministry of University. S. K. acknowledges a research fellowship (grant no. 408012143) awarded by the Deutsche Forschungsgemeinscha (DFG). This work was partially nanced through the Materials for Sustainability (Mat4Sus) program (739.017.005) of The Netherlands Organization for Scientic Research (NWO). AM acknowledges Italian MIUR for funding through project PON04a2 00490 “M2M Netergit”, CNR for Projects CNR/RFBR (Russia) “BNCT” and Short Term Mobility “HALIDES”, and PRACE for awarding access to Marconi KNL at CINECA, Italy, through project “PROVING-IL” (2019204911).
Publisher Copyright:
© The Royal Society of Chemistry.
PY - 2021/5/21
Y1 - 2021/5/21
N2 - Hybrid tin-iodide perovskites are investigated as potential lead-free replacement of the lead-iodide perovskites; however, the intrinsic operational limit of these systems has not been described in detail, so far. In this work we combine advanced ab initio calculations with XRD and absorption measurements to lay out the fundamentals of formamidinium (FASnI3) and methylammonium (MASnI3) tin iodide perovskites, in comparison with the lead-halide MAPbI3 prototype. Our theoretical analysis reveals that the tin-based materials display an intrinsic photoconversion efficiency on a par with the lead perovskites, and even superior in the thick-layer limit, where the theoretical PCE reaches 30.5% for lead-halides, and 32.3% for tin-halides under AM1.5G illumination; this is the result of two competing factors: a smaller absorption cross section at the onset for stannates, and their smaller band gap of 1.36 eV, thus very close to the ideal Shockley-Queisser limit. We found the rate of photoluminescence emission extremely sensitive to the absorption spectral weight at the band extrema, resulting in B-factor as different as 7.6 × 10-9 s-1 cm3 for MASnI3 and 0.4 × 10-10 s-1 cm3 for FASnI3. The additional impact of Urbach energy and hole doping, giving rise to large Burstein-Moss effect, is described in detail. This journal is
AB - Hybrid tin-iodide perovskites are investigated as potential lead-free replacement of the lead-iodide perovskites; however, the intrinsic operational limit of these systems has not been described in detail, so far. In this work we combine advanced ab initio calculations with XRD and absorption measurements to lay out the fundamentals of formamidinium (FASnI3) and methylammonium (MASnI3) tin iodide perovskites, in comparison with the lead-halide MAPbI3 prototype. Our theoretical analysis reveals that the tin-based materials display an intrinsic photoconversion efficiency on a par with the lead perovskites, and even superior in the thick-layer limit, where the theoretical PCE reaches 30.5% for lead-halides, and 32.3% for tin-halides under AM1.5G illumination; this is the result of two competing factors: a smaller absorption cross section at the onset for stannates, and their smaller band gap of 1.36 eV, thus very close to the ideal Shockley-Queisser limit. We found the rate of photoluminescence emission extremely sensitive to the absorption spectral weight at the band extrema, resulting in B-factor as different as 7.6 × 10-9 s-1 cm3 for MASnI3 and 0.4 × 10-10 s-1 cm3 for FASnI3. The additional impact of Urbach energy and hole doping, giving rise to large Burstein-Moss effect, is described in detail. This journal is
UR - http://www.scopus.com/inward/record.url?scp=85106028798&partnerID=8YFLogxK
U2 - 10.1039/d1ta01573g
DO - 10.1039/d1ta01573g
M3 - Article
AN - SCOPUS:85106028798
SN - 2050-7488
VL - 9
SP - 11812
EP - 11826
JO - Journal of Materials Chemistry A
JF - Journal of Materials Chemistry A
IS - 19
ER -