Abstract
Methyl ammonium lead iodide (MAPbI3) degrades with light exposure, thus modifying the intrinsic properties. Herein, we studied the diatomic vibrations in hexagonal boron nitride (h-BN)/MAPbI3 to preserve MAPbI3 stability. A thin layer of h-BN created dipole-barriers for iodine to prevent ion migration through the lattice. The simple Harmonic Oscillation (SHO) model confirmed ‘torsional locking’ and reduced diatomic vibrations. Interfacing the h-BN layer on MAPbI3 doubled torsional energy from the MA+ to around 2.58 eV/Å2 due to stiffness; NH⋯N restraining NC bonds to inhibit deprotonation of MA. A sixfold decrease in NC vibrational times to 23.3 ps/cycle would hinder iodide formation.
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