Jump to main content
Jump to site search

Issue 30, 2018
Previous Article Next Article

Short-range ion dynamics in methylammonium lead iodide by multinuclear solid state NMR and 127I NQR

Author affiliations

Abstract

We explore the short-range ion dynamics in methylammonium lead iodide (MAPbI3, the archetypal halide perovskite) by means of solid-state NMR (1H, 13C, 14N, 15N and 207Pb) and Nuclear Quadrupolar Resonance (127I NQR), in combination with molecular dynamics simulations. We focus on the rotational motion of the methylammonium (MA) cation, and on the interaction between MA and the inorganic lattice, since these processes are linked to electronic carrier lifetimes, optical and electronic properties and even structural stability of this promising solar cell material. We show that the motion of the MA cation can be described by a bi-axial rotation, with similar interactions of CH3 and NH3+ groups with the inorganic framework. This motion becomes nearly isotropic above the cubic phase transition, dominating the spin–lattice relaxation of 1H, 13C and 15N through spin-rotational interactions. In addition, we observe strong cross-relaxation between 207Pb and 127I, which fully controls spin–spin and spin–lattice relaxation in 207Pb.

Graphical abstract: Short-range ion dynamics in methylammonium lead iodide by multinuclear solid state NMR and 127I NQR

Back to tab navigation

Supplementary files

Publication details

The article was received on 08 Mar 2018, accepted on 11 Jul 2018 and first published on 11 Jul 2018


Article type: Paper
DOI: 10.1039/C8CP01535J
Citation: Phys. Chem. Chem. Phys., 2018,20, 20043-20055
  • Open access: Creative Commons BY license
  •   Request permissions

    Short-range ion dynamics in methylammonium lead iodide by multinuclear solid state NMR and 127I NQR

    A. Senocrate, I. Moudrakovski and J. Maier, Phys. Chem. Chem. Phys., 2018, 20, 20043
    DOI: 10.1039/C8CP01535J

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements