高性能ペロブスカイト太陽電池作成に有効な高活性酸化スカベンジャーの開発

概要

令和 4 年度 京都大学化学研究所 スーパーコンピュータシステム 利用報告書

高性能ペロブスカイト太陽電池作成に有効な高活性酸化スカベンジャーの開発
Creation of Effective Oxidation Scavenger for Efficient Perovskite-based Solar Cells
京都大学化学研究所複合基盤化学研究分子集合解析

笹森 貴裕

The goal of our collaborative research with Prof. Dr. Atsushi Wakamiya (ICR, Kyoto
University) is development of an organic oxidation scavenger for the creation of efficient
lead-free perovskite-based solar cells, and pioneering research achievements on the basis of the
fusion of elemental science and functional physical chemistry. Challenges for lead-free
efficient perovskite-based solar cells such as Sn(II)-based ones compared with their Pb
counterparts predominantly include the facile oxidation of divalent Sn(II) into Sn(IV) which
leads to the increased nonradiative charge recombination in the perovskite films. Thus, we
have focused our research targets on the creation of low-coordinated main group element
species as effective oxidation scavengers, which exhibit redox-active property and considerable
solubility in organic solvents.
Silylenes (R2Si:) are attractive intrinsically extremely reactive species, which would
exhibit possible ability of working as effecting oxidation scavengers. Isolable silylenes remain
scarce, and in most hitherto reported examples, the silylene center is stabilized by
electron-donating substituents (e.g., heteroatoms such as nitrogen), which results in electronic
perturbation. We have been interested in the chemistry of redox-active silylenes with
carbon-based substituents such as ferrocenyl groups. Furthermore, we have designed a
ferrocene-based phosphenium ion with “reversible” intramolecular donor coordination, FcP2Si:
(FcP = 1’-dicyclohexylphosphino-1-ferrocenyl). The FcP group ascribes both stability and
reactivity for the silylene center with its “switchable” donor coordination caused by the
rotation of the cyclopentadienyl moiety Accordingly, the possible precursor for the silylene
such as FcP2SiCl2 and FcP2Si(OCH3)2 were synthesized.1 The attempted synthesis of the
corresponding silylene is currently investigated. We are grateful to Prof. Wakamiya (ICR,
Kyoto Univ.), Prof. Yoshida (Nagoya Univ.) and Prof. Tsuchiya (Kitasato Univ.) for their
support on the research, and fruitful discussions.

1.

Sasamori, T.; Ueno, H.; Morisako, S. Inorganics 2022, 10, 22. ...