Ordered B-site vacancies in an ABX3 formate perovskite
We report the synthesis and structural characterization of the ABX3 perovskite frameworks [C(NH2)3]Mn1–x2+(Fe2x/33+,□x/3)(HCOO)3 (□ = B-site vacancy). For large x, the vacancies order, lowering the crystal symmetry. This system establishes B-site vacancies as a new type of defect in formate perovski...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
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American Chemical Society
2019
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| _version_ | 1826265779504414720 |
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| author | Boström, HJB Bruckmoser, J Goodwin, AL |
| author_facet | Boström, HJB Bruckmoser, J Goodwin, AL |
| author_sort | Boström, HJB |
| collection | OXFORD |
| description | We report the synthesis and structural characterization of the ABX3 perovskite frameworks [C(NH2)3]Mn1–x2+(Fe2x/33+,□x/3)(HCOO)3 (□ = B-site vacancy). For large x, the vacancies order, lowering the crystal symmetry. This system establishes B-site vacancies as a new type of defect in formate perovskites, with important chemical, structural, and functional implications. Monte Carlo simulations driven by nearest-neighbor vacancy repulsions show checkerboard vacancy order to emerge for x > 0.6, in accord with experiment. |
| first_indexed | 2024-03-06T20:28:59Z |
| format | Journal article |
| id | oxford-uuid:3067140a-a1b8-431f-ab54-628dee82d404 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T20:28:59Z |
| publishDate | 2019 |
| publisher | American Chemical Society |
| record_format | dspace |
| spelling | oxford-uuid:3067140a-a1b8-431f-ab54-628dee82d4042022-03-26T13:01:13ZOrdered B-site vacancies in an ABX3 formate perovskiteJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:3067140a-a1b8-431f-ab54-628dee82d404EnglishSymplectic Elements at OxfordAmerican Chemical Society2019Boström, HJBBruckmoser, JGoodwin, ALWe report the synthesis and structural characterization of the ABX3 perovskite frameworks [C(NH2)3]Mn1–x2+(Fe2x/33+,□x/3)(HCOO)3 (□ = B-site vacancy). For large x, the vacancies order, lowering the crystal symmetry. This system establishes B-site vacancies as a new type of defect in formate perovskites, with important chemical, structural, and functional implications. Monte Carlo simulations driven by nearest-neighbor vacancy repulsions show checkerboard vacancy order to emerge for x > 0.6, in accord with experiment. |
| spellingShingle | Boström, HJB Bruckmoser, J Goodwin, AL Ordered B-site vacancies in an ABX3 formate perovskite |
| title | Ordered B-site vacancies in an ABX3 formate perovskite |
| title_full | Ordered B-site vacancies in an ABX3 formate perovskite |
| title_fullStr | Ordered B-site vacancies in an ABX3 formate perovskite |
| title_full_unstemmed | Ordered B-site vacancies in an ABX3 formate perovskite |
| title_short | Ordered B-site vacancies in an ABX3 formate perovskite |
| title_sort | ordered b site vacancies in an abx3 formate perovskite |
| work_keys_str_mv | AT bostromhjb orderedbsitevacanciesinanabx3formateperovskite AT bruckmoserj orderedbsitevacanciesinanabx3formateperovskite AT goodwinal orderedbsitevacanciesinanabx3formateperovskite |