My UCL Chemistry 2nd Year PhD Poster.
YouTube talk here: https://youtu.be/H8cvJfZq8S8
Open-access Materials Horizons paper at: https://doi.org/10.1039/D1MH00764E
If you're interested in this work, please check out our open-access review on perovskite-inspired materials and defect tolerance here:
For other research articles see:
For other talks on YouTube see:
Polarisation in the Sn2
Chalcohalide Solar Absorber
Perovskite-inspired materials (PIMs) aim to replicate the
optoelectronic performance of lead-halide perovskites,
while eliminating issues with stability and toxicity.
Solution-grown tin-antimony sulfoiodide (Sn2
cells, have recently emerged as promising PIMs, exhibiting
power conversion efficiencies above 4% in the first
experimental attempt (exceeding the first reported value
We reveal the reported centrosymmetric Cmcm crystal
structure to in fact represent an average over multiple
configurations, confirmed through a
combination of lattice dynamics and molecular dynamics
We predict a large spontaneous polarisation of 37 μC/cm2
that could be active for electron-hole separation in
operating solar cells. We further assess the radiative
efficiency limit of this material, calculating ηmax
> 30% for
film thicknesses t > 0.5 μm.
Scan me with your phone for a 10
min YouTube talk on this work!
10−8 10−7 10−6 10−5 10−4 10−3
Film Thickness (m)
Max PV Efficiency (ηMax
) / %
Blank et al, Lambertian Scatterer
Blank et al, Flat Scatterer @Kavanagh_Sean_
a Green arrows depicting spontaneous symmetry breaking and
concomitant lattice polarisation in Sn2
, with the resulting built-
in potential (aiding electron-hole separation) shown alongside.
b Variation of Sb–S bond lengths in Sn2
dynamics simulations, demonstrating polarisation stability at room
temperature (300 K) and breakdown at T = 500 K.
c Maximum solar photovoltaic efficiency (ηmax
) vs film thickness.