daohang fenxiangbox searchbox qikanlogonew daohangnew searchboxnew navrightzone footerzone paper
中
Home > Journals > ACS Energy Letters
‹ Previous Article Next Article ›

Cubic or Orthorhombic? Revealing the Crystal Structure of Metastable Black-Phase CsPbI3 by Theory and Experiment AITranslate

Rebecca J. Sutton; Marina R. Filip; Amir A. Haghighirad; Nobuya Sakai; Bernard Wenger; Feliciano Giustino; Henry J. Snaith;
University of Oxford; University of Oxford; Karlsruhe Institute of Technology; University of Oxford; University of Oxford; Cornell University; University of Oxford
AITranslate
Publisher: ACS
Share Citation Information Add to Favorites

    Scan to share on WeChat or Moments

Use WeChat scan.
Share with WeChat friends or Moments

Abstract AITranslate

Room-temperature films of black-phase cesium lead iodide (CsPbI3) are widely thought to be trapped in a cubic perovskite polymorph. Here, we challenge this assumption. We present structural refinement of room-temperature black-phase CsPbI3 in an orthorhombic polymorph. We demonstrate that this polymorph is adopted by both powders and thin films of black-phase CsPbI3, fabricated either by high- or low-temperature processes. We perform electronic band structure calculations for the orthorhombic polymorph and find agreement with experimental data and close similarities with orthorhombic methylammonium lead iodide. We investigate the structural transitions and thermodynamic stability of the various polymorphs of CsPbI3 and show that the orthorhombic polymorph is the most stable among its other perovskite polymorphs, but it remains less stable than the yellow nonperovskite polymorph.

KeyWords AITranslate

No data

Basic Information:

DOI：https://doi.org/10.1021/acsenergylett.8b00672

Chinese Library Classification Number:

Citation Information:

Room-temperature films of black-phase cesium lead iodide (CsPbI3) are widely thought to be trapped in a cubic perovskite polymorph. Here, we challenge this assumption. We present structural refinement of room-temperature black-phase CsPbI3 in an orthorhombic polymorph. We demonstrate that this polymorph is adopted by both powders and thin films of black-phase CsPbI3, fabricated either by high- or low-temperature processes. We perform electronic band structure calculations for the orthorhombic polymorph and find agreement with experimental data and close similarities with orthorhombic methylammonium lead iodide. We investigate the structural transitions and thermodynamic stability of the various polymorphs of CsPbI3 and show that the orthorhombic polymorph is the most stable among its other perovskite polymorphs, but it remains less stable than the yellow nonperovskite polymorph.

quote

GB/T 7714-2015 [1] Rebecca J. Sutton, Marina R. Filip, Amir A. Haghighirad, et al. ACS Energy Letters, 2018(3). DOI:10.1021/acsenergylett.8b00672.
MLA [1] Rebecca J. Sutton, et al., ACS Energy Letters, no. 3, 2018, https://doi.org/10.1021/acsenergylett.8b00672.
APA [1] Rebecca J. Sutton, Marina R. Filip, Amir A. Haghighirad, Nobuya Sakai, Bernard Wenger, Feliciano Giustino, & Henry J. Snaith. (2018). ACS Energy Letters(3). https://doi.org/10.1021/acsenergylett.8b00672
IEEE [1] Rebecca J. Sutton, Marina R. Filip, Amir A. Haghighirad, Nobuya Sakai, Bernard Wenger, Feliciano Giustino, and Henry J. Snaith, ACS Energy Letters, no. 3, 2018, doi: 10.1021/acsenergylett.8b00672.