OH-ions can reduce the iodide migration in MAPI
Paper in proceeding, 2023
One of the main degradation mechanisms of methylammonium lead iodine (MAPI), which is an important material for perovskite based solar cells, is the migration of iodide ions. It is believed that this phenomenon is in fact dominated by the diffusion of iodide vacancies. In this paper, we suggest that the addition of a small amount of OH- ions can help suppress the migration of iodide and increase the overall stability of the material. Through the use of molecular dynamics simulations, we show that the OH- ions can bind to the positively charged iodide vacancies and can block the access of the negative iodide ions into those vacancies.
MAPI material
molecular dynamics simulations
iodide migration
Author
Rachel Elizabeth Brophy
Reykjavik University
Movaffaq Kateb
Chalmers, Physics, Condensed Matter and Materials Theory
I. Ghitiu
Universitatea din Bucuresti
National Institute for Laser, Plasma and Radiation Physics
N. Filipoiu
Horia Hulubei National Institute for R&D in Physics and Nuclear Engineering
Universitatea din Bucuresti
Kristinn Torfason
Reykjavik University
Halldor Gudfinnur Svavarsson
Reykjavik University
George Alexandru Nemnes
Universitatea din Bucuresti
Horia Hulubei National Institute for R&D in Physics and Nuclear Engineering
Ioana Pintilie
Institut de Physique des Materiaux, Bucarest-Magurele
Andrei Manolescu
Reykjavik University
Proceedings of the International Semiconductor Conference, CAS
139-142
9798350323955 (ISBN)
46th International Semiconductor Conference, CAS 2023
Sinaia, Romania,
Sinaia, Romania,
Subject Categories
Physical Chemistry
DOI
10.1109/CAS59036.2023.10303698