OH-ions can reduce the iodide migration in MAPI
Paper i 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

Författare

Rachel Elizabeth Brophy

Reykjavik University

Movaffaq Kateb

Chalmers, Fysik, Kondenserad materie- och materialteori

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,

Ämneskategorier

Fysikalisk kemi

DOI

10.1109/CAS59036.2023.10303698

Mer information

Senast uppdaterat

2023-12-15