Related Experiment Video
Updated: Mar 9, 2026

Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films
Published on: September 8, 2017
A new potential for methylammonium lead iodide
1Department of Materials Science and Engineering, University of Sheffield, Mappin Street, Sheffield, S1 3JD, UK. c.l.freeman@sheffield.ac.uk.
Abstract:
We present a new set of interatomic potentials for modelling methylammonium lead iodide. The potential model uses existing potentials for lead iodide and methylammonium, and new functions are fitted to enable these pre-existing potentials to be used together, while still being capable of modelling lead iodide and methylammonium iodide as separate materials. Fitting was performed using a combination of ab initio and experimental reference data. Our simulations are in agreement with experiment and reveal the short and long range ordering of the molecular cations and lead iodide octahedra.
Related Concept Videos
Qualitative Analysis
For instance, group IV...
Precipitation of Ions
The equation that describes the equilibrium between solid calcium carbonate and its solvated ions is:
Ionic Association
Acid Halides to Amides: Aminolysis
In the first step of the aminolysis mechanism, the amine attacks the carbonyl carbon of the acyl chloride to form a tetrahedral intermediate. In the second step, the carbonyl group is re-formed with the elimination of a chloride...
Ionic Bonding and Electron Transfer
Common Ion Effect

