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Predicting the Energetic Stabilization of Janus-MoSSe/AlN Heterostructures: A DFT Study
The packing mechanisms between Janus-MoSSe and Aluminum-Nitride (AlN) sheets were systematically investigated by using Density Function Theory calculations. Results show that the stabilization (packing) energies vary from -35.5 up to -17.5 meV depending on the chemical species involved in the interf
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