Electrostatic screening of stoichiometric slabs and surface dipoles predicts stable facets and morphologies in ionic crystals faster than DFT, with predictions matching experiments on tested materials.
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Accelerated Prediction of Surface Stability and Particle Morphology in Ionic Crystals via Electrostatic Screening
Electrostatic screening of stoichiometric slabs and surface dipoles predicts stable facets and morphologies in ionic crystals faster than DFT, with predictions matching experiments on tested materials.