Büchner, Carina ; Kubitza, Niels ; Malik, Ali M. ; Jamboretz, John ; Riaz, Aysha A. ; Zhu, Yujiang ; Schlueter, Christoph ; McCartney, Martha R. ; Smith, David J. ; Regoutz, Anna ; Rohrer, Jochen ; Birkel, Christina S. (2024)
Chemical conversions within the Mo-Ga-C system: layered solids with variable Ga content.
In: Inorganic Chemistry, 63 (17)
doi: 10.1021/acs.inorgchem.4c00107
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
Layered carbides are fascinating compounds due to their enormous structural and chemical diversity, as well as their potential to possess useful and tunable functional properties. Their preparation, however, is challenging and forces synthesis scientists to develop creative and innovative strategies to access high-quality materials. One unique compound among carbides is Mo2Ga2C. Its structure is related to the large and steadily growing family of 211 MAX phases that crystallize in a hexagonal structure (space group P63/mmc) with alternating layers of edge-sharing M6X octahedra and layers of the A-element. Mo2Ga2C also crystallizes in the same space group, with the difference that the A-element layer is occupied by two A-elements, here Ga, that sit right on top of each other (hence named “221” compound). Here, we propose that the Ga content in this compound is variable between 2:2, 2:1, and 2: ≤1 (and 2:0) Mo/Ga ratios. We demonstrate that one Ga layer can be selectively removed from Mo2Ga2C without jeopardizing the hexagonal P63/mmc structure. This is realized by chemical treatment of the 221 phase Mo2Ga2C with a Lewis acid, leading to the “conventional” 211 MAX phase Mo2GaC. Upon further reaction with CuCl2, more Ga is removed and replaced with Cu (instead of fully exfoliating into the Ga-free Mo2CTx MXene), leading to Mo2Ga1–xCuxC still crystallizing with space group P63/mmc, however, with a significantly larger c-lattice parameter. Furthermore, 211 Mo2GaC can be reacted with Ga to recover the initial 221 Mo2Ga2C. All three reaction pathways have not been reported previously and are supported by powder X-ray diffraction (PXRD), electron microscopy, X-ray spectroscopy, and density functional theory (DFT) calculations.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2024 |
| Autor(en): | Büchner, Carina ; Kubitza, Niels ; Malik, Ali M. ; Jamboretz, John ; Riaz, Aysha A. ; Zhu, Yujiang ; Schlueter, Christoph ; McCartney, Martha R. ; Smith, David J. ; Regoutz, Anna ; Rohrer, Jochen ; Birkel, Christina S. |
| Art des Eintrags: | Bibliographie |
| Titel: | Chemical conversions within the Mo-Ga-C system: layered solids with variable Ga content |
| Sprache: | Englisch |
| Publikationsjahr: | 2024 |
| Verlag: | American Chemical Society |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Inorganic Chemistry |
| Jahrgang/Volume einer Zeitschrift: | 63 |
| (Heft-)Nummer: | 17 |
| DOI: | 10.1021/acs.inorgchem.4c00107 |
| Kurzbeschreibung (Abstract): | Layered carbides are fascinating compounds due to their enormous structural and chemical diversity, as well as their potential to possess useful and tunable functional properties. Their preparation, however, is challenging and forces synthesis scientists to develop creative and innovative strategies to access high-quality materials. One unique compound among carbides is Mo2Ga2C. Its structure is related to the large and steadily growing family of 211 MAX phases that crystallize in a hexagonal structure (space group P63/mmc) with alternating layers of edge-sharing M6X octahedra and layers of the A-element. Mo2Ga2C also crystallizes in the same space group, with the difference that the A-element layer is occupied by two A-elements, here Ga, that sit right on top of each other (hence named “221” compound). Here, we propose that the Ga content in this compound is variable between 2:2, 2:1, and 2: ≤1 (and 2:0) Mo/Ga ratios. We demonstrate that one Ga layer can be selectively removed from Mo2Ga2C without jeopardizing the hexagonal P63/mmc structure. This is realized by chemical treatment of the 221 phase Mo2Ga2C with a Lewis acid, leading to the “conventional” 211 MAX phase Mo2GaC. Upon further reaction with CuCl2, more Ga is removed and replaced with Cu (instead of fully exfoliating into the Ga-free Mo2CTx MXene), leading to Mo2Ga1–xCuxC still crystallizing with space group P63/mmc, however, with a significantly larger c-lattice parameter. Furthermore, 211 Mo2GaC can be reacted with Ga to recover the initial 221 Mo2Ga2C. All three reaction pathways have not been reported previously and are supported by powder X-ray diffraction (PXRD), electron microscopy, X-ray spectroscopy, and density functional theory (DFT) calculations. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Theorie magnetischer Materialien 07 Fachbereich Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut > Fachgebiet Anorganische Chemie 07 Fachbereich Chemie > Eduard Zintl-Institut |
| Hinterlegungsdatum: | 19 Jun 2024 05:35 |
| Letzte Änderung: | 28 Jun 2024 12:36 |
| PPN: | 519244753 |
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