Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4
The MAB phases are a family of layered ternary transition metal borides, with atomically laminated crystal structures comprised of transition metal boride (M-B) layers interleaved by single, or double, Al (A) layers. Herein, density functional theory is implemented to evaluate the thermodynamic stab...
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| Format: | Article |
| Language: | English |
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Taylor & Francis Group
2021-02-01
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| Series: | Materials Research Letters |
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| Online Access: | http://dx.doi.org/10.1080/21663831.2020.1845834 |
| _version_ | 1818716440542314496 |
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| author | Luke A. Hanner Hussein O. Badr Martin Dahlqvist Sankalp Kota David Raczkowski Johanna Rosen Michel W. Barsoum |
| author_facet | Luke A. Hanner Hussein O. Badr Martin Dahlqvist Sankalp Kota David Raczkowski Johanna Rosen Michel W. Barsoum |
| author_sort | Luke A. Hanner |
| collection | DOAJ |
| description | The MAB phases are a family of layered ternary transition metal borides, with atomically laminated crystal structures comprised of transition metal boride (M-B) layers interleaved by single, or double, Al (A) layers. Herein, density functional theory is implemented to evaluate the thermodynamic stability of disordered (Mn1-xCrx)2AlB2, and disordered and ordered (Mn1-xCrx)3AlB4 quaternaries. The (Mn1-xCrx)2AlB2 solid solutions were synthesized over the entire range of substitution. A (Mn1-xCrx)3AlB4 solid solution was produced, on the base of Cr3AlB4, to form (Mn0.33Cr0.66)3AlB4. Powder X-ray diffraction shows lattice parameter shifts and unit cell expansions indicative of successful solid solution formations. |
| first_indexed | 2024-12-17T19:19:18Z |
| format | Article |
| id | doaj.art-6560e12cc15b422aaebc7ce802869008 |
| institution | Directory Open Access Journal |
| issn | 2166-3831 |
| language | English |
| last_indexed | 2024-12-17T19:19:18Z |
| publishDate | 2021-02-01 |
| publisher | Taylor & Francis Group |
| record_format | Article |
| series | Materials Research Letters |
| spelling | doaj.art-6560e12cc15b422aaebc7ce8028690082022-12-21T21:35:37ZengTaylor & Francis GroupMaterials Research Letters2166-38312021-02-019211211810.1080/21663831.2020.18458341845834Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4Luke A. Hanner0Hussein O. Badr1Martin Dahlqvist2Sankalp Kota3David Raczkowski4Johanna Rosen5Michel W. Barsoum6Drexel UniversityDrexel UniversityIFM, Linköping UniversityDrexel UniversityDrexel UniversityIFM, Linköping UniversityDrexel UniversityThe MAB phases are a family of layered ternary transition metal borides, with atomically laminated crystal structures comprised of transition metal boride (M-B) layers interleaved by single, or double, Al (A) layers. Herein, density functional theory is implemented to evaluate the thermodynamic stability of disordered (Mn1-xCrx)2AlB2, and disordered and ordered (Mn1-xCrx)3AlB4 quaternaries. The (Mn1-xCrx)2AlB2 solid solutions were synthesized over the entire range of substitution. A (Mn1-xCrx)3AlB4 solid solution was produced, on the base of Cr3AlB4, to form (Mn0.33Cr0.66)3AlB4. Powder X-ray diffraction shows lattice parameter shifts and unit cell expansions indicative of successful solid solution formations.http://dx.doi.org/10.1080/21663831.2020.1845834solid solutionstransition metal boridesmn2alb2cr2alb2cr3alb4 |
| spellingShingle | Luke A. Hanner Hussein O. Badr Martin Dahlqvist Sankalp Kota David Raczkowski Johanna Rosen Michel W. Barsoum Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4 Materials Research Letters solid solutions transition metal borides mn2alb2 cr2alb2 cr3alb4 |
| title | Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4 |
| title_full | Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4 |
| title_fullStr | Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4 |
| title_full_unstemmed | Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4 |
| title_short | Synthesis, characterization and first principle modelling of the MAB phase solid solutions: (Mn1-xCrx)2AlB2 and (Mn1-xCrx)3AlB4 |
| title_sort | synthesis characterization and first principle modelling of the mab phase solid solutions mn1 xcrx 2alb2 and mn1 xcrx 3alb4 |
| topic | solid solutions transition metal borides mn2alb2 cr2alb2 cr3alb4 |
| url | http://dx.doi.org/10.1080/21663831.2020.1845834 |
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