Optimization of neutron reflectometry experiment on thin films of hybrid perovskites for photovoltaics

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Abstract

Organic-inorganic hybrid perovskite materials based on metal-organic structures are attracting much attention, as they are characterized by rather high photocurrent conversion together with comparative simple production procedure. A model analysis of the possibility to experimentally detect and characterize a lead halide layer formed at the internal interface during degradation of a hybrid perovskite photovoltaic film using in situ neutron reflectometry, is presented. From a comparison of the calculated specular reflection curves, the relationships between the parameters of the system components are identified, at which, despite the generally weak changes in the curves, still it is possible to trace the evolution of this layer.

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About the authors

M. V. Avdeev

Joint Institute for Nuclear Research; Dubna University

Author for correspondence.
Email: avd@nf.jinr.ru

Frank Laboratory of Neutron Physics

Russian Federation, Dubna, Moscow Region; Dubna, Moscow Region

Т. V. Tropin

Joint Institute for Nuclear Research

Email: avd@nf.jinr.ru

Frank Laboratory of Neutron Physics

Russian Federation, Dubna, Moscow Region

V. V. Sadilov

Joint Institute for Nuclear Research

Email: avd@nf.jinr.ru

Frank Laboratory of Neutron Physics

Russian Federation, Dubna, Moscow Region

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2. Fig. 1. Schematic of the specular reflection experiment in neutron reflectometry on the Si/SiO2/Me/TiO2/PbI2/MAPI system (a) and the corresponding SLD profile with parameter designations for the components (b). Me denotes a quasi-homogeneous multilayer Ti/Ni0.9Mo0.1 with SLD variation by changing the sublayer thickness ratio from Ti to Ni0.9Mo0.1 (Table 1). The dashed circle highlights the PbI2 layer formed during MAPI film degradation, which must be detected and its parameters (thickness and SLD) determined.

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3. Fig. 2. Calculated changes in reflection curves for the Si/SiO2 2.5 nm/Me 30 nm/TiO2 2.5 nm/PbI2 [0–5 nm]/MAPI system during the appearance and growth of a PbI2 layer (ρ = 1.606 × 10^10 cm–2) for different ρMe values: –1.925 (a), 2.6 (b), 4.2 (c), 8.632 (d) in units of 10^10 cm–2. Curve designations for different PbI2 thicknesses: 1 (solid line) — 0 nm, 2 (dashed line) — 2.5 nm, 2 (dash-dotted line) — 5 nm.

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4. Fig. 3. Calculated reflection curves for the Si/SiO2 2.5 nm/Me 30 nm/TiO2 2.5 nm/PbI2 5 nm/MAPI system for different densities of the PbI2 layer. SLD of the metallic layer ρMe = 2.6 × 10^10 cm–2. Curve designations for different PbI2 densities: 1 (solid line) — 1.606, 2 (dashed line) — 1.3, 2 (dash-dotted line) — 1.3 in units of 10^10 cm–2.

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