Tailoring the Electronic and Structural Properties of Lead-Free A 2 ZrX 6 "Defect" Perovskites: A DFT Study on A-Site Cation and Halogen Substitutions.
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| Title: | Tailoring the Electronic and Structural Properties of Lead-Free A 2 ZrX 6 "Defect" Perovskites: A DFT Study on A-Site Cation and Halogen Substitutions. |
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| Authors: | Kolokytha, Christina1,2 (AUTHOR), Tzeli, Demeter1,2 (AUTHOR) tzeli@chem.uoa.gr, Lathiotakis, Nektarios N.1 (AUTHOR) |
| Source: | Materials (1996-1944). Sep2025, Vol. 18 Issue 17, p3976. 16p. |
| Database: | Academic Search Ultimate |
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| ISSN: | 19961944 |
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| DOI: | 10.3390/ma18173976 |
