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A comprehensive DFT investigation of bulk and low‐index surfaces of ZrO2 polymorphs |
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| Authors: | Chiara Ricca Armelle Ringuedé Michel Cassir Carlo Adamo Frederic Labat |
| Affiliation: | 1. PSL Research University, Chimie Paristech‐CNRS, Institut de Recherche de Chimie de Paris, France;2. Institut Universitaire de France, Paris, France |
| Abstract: | |
| Keywords: | zirconia bulk surfaces DFT crystal |