Upper efficiency limit of Sb2Se3 solar cells
arxiv(2024)
摘要
Antimony selenide (Sb2Se3) is at the forefront of an emerging class of
sustainable photovoltaic materials. Despite notable developments over the past
decade, the light-to-electricity conversion efficiency of Sb2Se3 has reached a
plateau of 10
scope to rival the success of metal halide perovskite solar cells? Here we
assess the trap-limited conversion efficiency of Sb2Se3. First-principles
defect analysis of the hole and electron capture rates for point defects
demonstrates the critical role of vacancies as active recombination centres. We
predict an upper limit of 25
equilibrium conditions where the concentrations of charged vacancies are
minimised. We further reveal how the detrimental effect of Se vacancies can be
reduced by extrinsic oxygen passivation, highlighting a pathway to achieve
high-performance metal selenide solar cells close to the thermodynamic limit.
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