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Sökning: id:"swepub:oai:DiVA.org:liu-187340" > Data-driven design ...

  • Cai, XiaFudan Univ, Peoples R China; Shanghai Normal Univ, Peoples R China; Fudan Univ, Peoples R China (författare)

Data-driven design of high-performance MASn(x)Pb(1-x)I(3) perovskite materials by machine learning and experimental realization

  • Artikel/kapitelEngelska2022

Förlag, utgivningsår, omfång ...

  • 2022-07-26
  • Springer Nature,2022
  • electronicrdacarrier

Nummerbeteckningar

  • LIBRIS-ID:oai:DiVA.org:liu-187340
  • https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-187340URI
  • https://doi.org/10.1038/s41377-022-00924-3DOI

Kompletterande språkuppgifter

  • Språk:engelska
  • Sammanfattning på:engelska

Ingår i deldatabas

Klassifikation

  • Ämneskategori:ref swepub-contenttype
  • Ämneskategori:art swepub-publicationtype

Anmärkningar

  • Funding Agencies|National Natural Science Foundation of China [61774046, 11374063]; Shanghai Municipal Natural Science Foundation [19ZR1402900]
  • The photovoltaic performance of perovskite solar cell is determined by multiple interrelated factors, such as perovskite compositions, electronic properties of each transport layer and fabrication parameters, which makes it rather challenging for optimization of device performances and discovery of underlying mechanisms. Here, we propose and realize a novel machine learning approach based on forward-reverse framework to establish the relationship between key parameters and photovoltaic performance in high-profile MASn(x)Pb(1-x)I(3) perovskite materials. The proposed method establishes the asymmetrically bowing relationship between band gap and Sn composition, which is precisely verified by our experiments. Based on the analysis of structural evolution and SHAP library, the rapid-change region and low-bandgap plateau region for small and large Sn composition are explained, respectively. By establishing the models for photovoltaic parameters of working photovoltaic devices, the deviation of short-circuit current and opencircuit voltage with band gap in defective-zone and low-bandgap-plateau regions from Shockley-Queisser theory is captured by our models, and the former is due to the deep-level traps formed by crystallographic distortion and the latter is due to the enhanced susceptibility by increased Sn (4+ )content. The more difficulty for hole extraction than electron is also concluded in the models and the prediction curve of power conversion efficiency is in a good agreement with Shockley-Queisser limit. With the help of search and optimization algorithms, an optimized Sn:Pb composition ratio near 0.6 is finally obtained for high-performance perovskite solar cells, then verified by our experiments. Our constructive method could also be applicable to other material optimization and efficient device development.

Ämnesord och genrebeteckningar

Biuppslag (personer, institutioner, konferenser, titlar ...)

  • Liu, FengcaiFudan Univ, Peoples R China; Fudan Univ, Peoples R China (författare)
  • Yu, AnranFudan Univ, Peoples R China; Fudan Univ, Peoples R China (författare)
  • Qin, JiajunLinköpings universitet,Elektroniska och fotoniska material,Tekniska fakulteten(Swepub:liu)jiaqi14 (författare)
  • Hatamvand, MohammadFudan Univ, Peoples R China; Fudan Univ, Peoples R China (författare)
  • Ahmed, IrfanFudan Univ, Peoples R China; Fudan Univ, Peoples R China (författare)
  • Luo, JiayanFudan Univ, Peoples R China; Fudan Univ, Peoples R China (författare)
  • Zhang, YimingFudan Univ, Peoples R China; Fudan Univ, Peoples R China; Fudan Univ, Peoples R China (författare)
  • Zhang, HaoFudan Univ, Peoples R China; Fudan Univ, Peoples R China; Fudan Univ, Peoples R China; Fudan Univ, Peoples R China (författare)
  • Zhan, YiqiangFudan Univ, Peoples R China; Fudan Univ, Peoples R China (författare)
  • Fudan Univ, Peoples R China; Shanghai Normal Univ, Peoples R China; Fudan Univ, Peoples R ChinaFudan Univ, Peoples R China; Fudan Univ, Peoples R China (creator_code:org_t)

Sammanhörande titlar

  • Ingår i:Light: Springer Nature11:12095-55452047-7538

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