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Molecular dynamics simulations with the MYP force field were performed to determine the thermal conductivity of perfect and defective bulk MAPbI 3 . Thermal conductivity was found to decrease overall as the vacancy concentration increased.

Effect of vacancy concentration on the lattice thermal conductivity of CH3NH3PbI3: a molecular dynamics study

Effect of vacancy concentration on the lattice thermal conductivity of CH₃NH₃PbI₃: a molecular dynamics study