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On the viability of Mg extraction in MgMoN2: a combined experimental and theoretical approach

Abstract

Layered MgMoN2 was prepared by solid state reaction at high temperature between Mo and Mg3N2 in N2 which represents a simple synthetic pathway compared to the previously reported method that used NaN3 as nitrogen source. The crystal structure of MgMoN2 was studied by synchrotron X-ray and neutron powder diffraction. The feasibility of oxidizing this compound and concomitantly extracting magnesium from the structure was assessed by both chemical and electrochemical approaches, using different protocols. The X-ray diffraction patterns of oxidized samples do not exhibit any relevant difference with respect to that of the as prepared MgMoN2 and no differences in the cell parameters are deduced from Rietveld refinements. No hints pointing at the presence of any amorphous phase are observed either. These results are rationalized through DFT calculated energy barriers for Mg2+ ion migration in MgMoN2

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Publication details

The article was received on 18 Jul 2017, accepted on 04 Sep 2017 and first published on 04 Sep 2017


Article type: Paper
DOI: 10.1039/C7CP04850E
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
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    On the viability of Mg extraction in MgMoN2: a combined experimental and theoretical approach

    R. Verrelli, M. E. Arroyo-de Dompablo, D. Tchitchekova, A. P. Black, C. Frontera, A. Fuertes and M. R. Palacín, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP04850E

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