DOI > 10.5291/ILL-DATA.5-31-2678

This proposal is publicly available since 10/03/2024

Title

Experimental determination of the nuclear and magnetic structure of photovoltaic perovskites-based compounds by neutron diffraction

Abstract

Organic and hybrid solar cells are emerging photovoltaic technologies that may reach the market in the coming years. Nevertheless, the process of charge photogeneration and transport is not completely understood. CH3NH3PbI3 perovskite solar cells have reached PCE > 23%, but its stability is poor, with lifetimes lower than one year. The crystalline structure of the active layer determines the charge photogeneration and transport, and therefore affects its power conversion efficiency (PCE) and the operational stability of the device. The addition of small molecules (amino valeric acid) is changing the structure of the material and providing longer lifetimes. Also, if part of the Pb atoms is replaced by Mn, a long range magnetic order develops at low temperatures (Tc around 25K). We plan to determine the atomic and magnetic structure of CH3NH3PbI3 solar cells by neutron diffraction and study its thermal dependence. The perovskite structure and its distortion at several temperatures ranging from 10K to 300K will be measured. The long range magnetic structure (RKKY interaction) when part of the Pb is replaced by Mn will be studied as a function of temperature and the content of Mn.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

Antonio Urbina; ABAD Jose; FABELO ROSA Oscar Ramon; Saptam Ganguly; LIRA CANTU Monica; LOPEZ VICENTE Rodolfo; PADILLA Javier; PEREZ DE LANDAZABAL Jose Ignacio; RECARTE Vicente and Carlos Toledo. (2019). Experimental determination of the nuclear and magnetic structure of photovoltaic perovskites-based compounds by neutron diffraction. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-31-2678

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Metadata

Experiment Parameters

  • Environment temperature

    5K-300K
  • Experiment energy

    D1B:2.52A, D2B:1.59A
  • Experiment moment

    2theta=0.8-128/165

Sample Parameters

  • Formula

    • CH3NH3PbI3 + (NH3(CH2)4COOH)+I-
    • CH3NH3(Mn:Pb)I3