Photophysical Ion Dynamics in Hybrid Perovskite MAPbX3 (X=Br, Cl) Single Crystals
Journal article, 2024

Hybrid organic–inorganic perovskites (HOIPs) are promising candidates for
next-generation photovoltaic materials. However, there is a debate regarding
the impact of interactions between the organic center and the surrounding
inorganic cage on the solar cell’s high diffusion lengths. It remains unclear
whether the diffusion mechanism is consistent across various halide
perovskite families and how light illumination affects carrier lifetimes. The
focus is on ion kinetics of (CH3NH3)PbX3 (X = Br, Cl) perovskite halide single
crystals. Muon spectroscopy (𝝁+SR)is employed to investigate the
fluctuations and diffusion of ions via the relaxation of muon spins in local
nuclear field environments. Within a temperature range of 30–340 K, ion
kinetics are studied with and without white-light illumination. The results
show a temperature shift of the tetragonal-orthorhombic phase transition on
the illuminated samples, as an effect of increased organic molecule
fluctuations. This relation is supported by density functional theory
(DFT) calculations along the reduction of the nuclear field distribution width
between the phase transitions. The analysis shows that, depending on the
halide ion, the motional narrowing from H and N nuclear moments
represents the molecular fluctuations. The results demonstrate the
importance of the halide ion and the effect of illumination on the compound’s
structural stability and electronic properties.

muon spin spectroscopy

organic-inorganic hybrid perovskite

ion dynamics

structural stability


Konstantinos Papadopoulos

Chalmers, Physics, Materials Physics

Ola Kenji Forslund

University of Zürich

Uppsala University

Stephen P. Cottrell

ISIS Neutron and Muon Source

Koji Yokoyama

ISIS Neutron and Muon Source

Pabitra K. Nayak

Tata Institute of Fundamental Research

Francoise Mystere Amombo Noa

Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry

Lars Öhrström

Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry

Elisabetta Nocerino

Stockholm University

Lars Börjesson

Chalmers, Physics, Materials Physics

Jun Sugiyama

Comprehensive Research Organization for Science and Society (CROSS)

Martin Mansson

Royal Institute of Technology (KTH)

Yasmine Sassa

Chalmers, Physics, Materials Physics

Advanced Physics Research

2751-1200 (ISSN) 2751-1200 (eISSN)


Driving Forces

Sustainable development

Areas of Advance


Materials Science


Basic sciences

Subject Categories

Atom and Molecular Physics and Optics

Condensed Matter Physics


Chalmers Materials Analysis Laboratory



More information


3/4/2024 1