ArticleACS energy letters2025
Chalcogen Vacancies Rule Charge Recombination in Pnictogen Chalcohalide Solar-Cell Absorbers.
Article in ACS energy letters, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
3 citing papers in PubMed.
- Impact of Intrinsic Defects and Tungsten Doping on the Catalytic Properties of Two-Dimensional CuACS omega · 2026Article
- Defect-Limited Efficiency of Pnictogen Chalcohalide Solar Cells.Chemistry of materials : a publication of the American Chemical Society · 2026Article
- Structural and Electronic Reconstruction of Extended Defects in Pnictogen Chalcohalides.The journal of physical chemistry letters · 2026Article
Corrections and comments
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Pnictogen chalcohalides (MChX) represent an emerging class of nontoxic photovoltaic absorbers, valued for their favorable synthesis conditions and optoelectronic properties. Despite their proposed defect tolerance, stemming from the antibonding nature of their valence and conduction bands, their experimentally reported power conversion efficiencies remain below 10%, far from the ideal Shockley-Queisser limit of 30%. Using advanced first-principles simulation methods, we uncover a complex point-defect landscape in MChX, exemplified by BiSeI. Previously overlooked chalcogen vacancies are identified as critical nonradiative charge-recombination centers, which exist in high concentrations and, although they exhibit modest capture coefficients, can reduce the maximum power conversion efficiency down to 24%. We argue that such detrimental effects can be mitigated by cation-poor synthesis conditions and strategic anion substitutions. This study not only identifies efficiency-limiting factors in MChX but also provides a roadmap for their improvement, paving the way for next-generation solution-processed chalcogenide photovoltaics.
Identifiers
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Registered trials
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