From Cubic to Hexagonal: Electronic Trends across Metal Halide Perovskite Polytypes
- 주제(기타) Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
- 설명문(일반) [Park, Ji-Sang] Sungkyunkwan Univ, SKKU Adv Inst Nano Technol St & Dept Nano Engn, Seoul 03063, South Korea; [Park, Ji-Sang] Sungkyunkwan Univ, Dept Nano Engn, Seoul 03063, South Korea; [Ganose, Alex M. M.] Imperial Coll London, Dept Chem, London SW7 2AZ, England; [Li, Zhenzhu; Walsh, Aron] Imperial Coll London, Ctr Processable Elect, London SW7 2AZ, England; [Li, Zhenzhu; Walsh, Aron] Imperial Coll London, Dept Mat, London SW7 2AZ, England; [Walsh, Aron] Ewha Womans Univ, Dept Phys, Seoul 03760, South Korea
- 등재 SCIE, SCOPUS
- OA유형 hybrid
- 발행기관 AMER CHEMICAL SOC
- 발행년도 2023
- 총서유형 Journal
- URI http://www.dcollection.net/handler/ewha/000000208833
- 본문언어 영어
- Published As https://doi.org/10.1021/acs.jpcc.3c01232
초록/요약
Polytypes formed during the growth of metal halide perovskitescan give rise to the formation of face-sharing sequences in corner-sharingoctahedral networks. Here, the electronic influences of such structures,including the 6H and 12R phases, are found to be correlated with thefraction and stacking sequence of the face-sharing layers. The bandgaps of polytypes feature a characteristic evolution from indirectto direct from pure hexagonal (2H) to cubic (3C) phases. Rather thanarising from orbital mixing at the atomic level, a large band gapbowing of 1.96 eV in the CsPbI3 family was attributedto the long-range electronic interaction between octahedral buildingblocks. While retaining a high carrier velocity (& SIM;2 x10(5) m s(-1)), Fermi surfaceanalysis further revealed a decrease of dimensionality from 3D to2D in frequently observed polytypes, indicating a carrier blockingand anisotropic transport effect of hexagonal impurity phases, withconsequences for their applications in solar cells and other optoelectronicdevices.
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