Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells
By Jarvist Moore Frost, Keith T. Butler, Aron Walsh. 2014
519 citations recorded by the source corpus.
We report a model describing the molecular orientation disorder in CH3NH3PbI3, solving a classical Hamiltonian parametrised with electronic structure calculations, with the nature of the motions informed by ab initio molecular dynamics. We investigate the temperature and static electric field dependence of the equilibrium ferroelectric (molecular) domain structure and resulting polarisability. A rich domain structure of twinned molecular dipoles is observed, strongly varying as a function of temperature and applied electric field. We propose that the internal electrical fields associated with microscopic polarisation domains contribute to hysteretic anomalies in the current-voltage response of hybrid organic-inorganic perovskite solar cells due to variations in electron-hole recombination in the bulk.
Subfields: Electrical and Electronic Engineering, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/f4448719015a96eb301941f107a64d462cdd0332
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Electrical and Electronic Engineering
In Materials Chemistry
Citations in the corpus
- Lead iodide perovskite light-emitting field-effect transistor (2015, unknown): “30, 31, 32 Recently, photocurrent hysteresis in CH 3 NH 3 PbI 3 planar heterojunction solar cells was found to be originated from trap states on the surface and grain boundaries of the perovskite materials, which can be effectively eliminated by fullerene passivation.”