Hydrogen sites and dynamics in light-weight hydrogen-storage material magnesium- scandium hydride investigated with 1H and 2H NMR

P.C.M.M. Magusin; W.P. Kalisvaart; P.H.L. Notten; R.A. Santen, van

doi:10.1016/j.cplett.2008.03.002

Hydrogen sites and dynamics in light-weight hydrogen-storage material magnesium- scandium hydride investigated with 1H and 2H NMR

P.C.M.M. Magusin, W.P. Kalisvaart, P.H.L. Notten, R.A. Santen, van

Inorganic Materials & Catalysis

Research output: Contribution to journal › Article › Academic › peer-review

30 Citations (Scopus)

Abstract

Magnesium transition-metal alloys are a novel class of light-weight hydrogen-storage materials. We have studied magnesium–scandium hydride with magic-angle-spinning 1H and 2H NMR. A new double-quantum NMR method with 45Sc recoupling reveals two types of deuterium with and without scandium neighbors. Their relative occurrence quantified with 2H–{45Sc} TRAPDOR NMR reflects a non-statistical Mg and Sc distribution over the crystal lattice. The deuteron exchange observed with two-dimensional NMR is consistent with Mg and Sc-rich sub-nanometer clusters. Deuterium motion is governed by a broad range of energy barriers without clear correlation to the underlying chemical heterogeneity.

Original language	English
Pages (from-to)	55-58
Journal	Chemical Physics Letters
Volume	456
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2008.03.002
Publication status	Published - 2008

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title = "Hydrogen sites and dynamics in light-weight hydrogen-storage material magnesium- scandium hydride investigated with 1H and 2H NMR",

abstract = "Magnesium transition-metal alloys are a novel class of light-weight hydrogen-storage materials. We have studied magnesium–scandium hydride with magic-angle-spinning 1H and 2H NMR. A new double-quantum NMR method with 45Sc recoupling reveals two types of deuterium with and without scandium neighbors. Their relative occurrence quantified with 2H–{45Sc} TRAPDOR NMR reflects a non-statistical Mg and Sc distribution over the crystal lattice. The deuteron exchange observed with two-dimensional NMR is consistent with Mg and Sc-rich sub-nanometer clusters. Deuterium motion is governed by a broad range of energy barriers without clear correlation to the underlying chemical heterogeneity.",

author = "P.C.M.M. Magusin and W.P. Kalisvaart and P.H.L. Notten and {Santen, van}, R.A.",

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doi = "10.1016/j.cplett.2008.03.002",

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volume = "456",

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journal = "Chemical Physics Letters",

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T1 - Hydrogen sites and dynamics in light-weight hydrogen-storage material magnesium- scandium hydride investigated with 1H and 2H NMR

AU - Magusin, P.C.M.M.

AU - Kalisvaart, W.P.

AU - Notten, P.H.L.

AU - Santen, van, R.A.

PY - 2008

Y1 - 2008

N2 - Magnesium transition-metal alloys are a novel class of light-weight hydrogen-storage materials. We have studied magnesium–scandium hydride with magic-angle-spinning 1H and 2H NMR. A new double-quantum NMR method with 45Sc recoupling reveals two types of deuterium with and without scandium neighbors. Their relative occurrence quantified with 2H–{45Sc} TRAPDOR NMR reflects a non-statistical Mg and Sc distribution over the crystal lattice. The deuteron exchange observed with two-dimensional NMR is consistent with Mg and Sc-rich sub-nanometer clusters. Deuterium motion is governed by a broad range of energy barriers without clear correlation to the underlying chemical heterogeneity.

AB - Magnesium transition-metal alloys are a novel class of light-weight hydrogen-storage materials. We have studied magnesium–scandium hydride with magic-angle-spinning 1H and 2H NMR. A new double-quantum NMR method with 45Sc recoupling reveals two types of deuterium with and without scandium neighbors. Their relative occurrence quantified with 2H–{45Sc} TRAPDOR NMR reflects a non-statistical Mg and Sc distribution over the crystal lattice. The deuteron exchange observed with two-dimensional NMR is consistent with Mg and Sc-rich sub-nanometer clusters. Deuterium motion is governed by a broad range of energy barriers without clear correlation to the underlying chemical heterogeneity.

U2 - 10.1016/j.cplett.2008.03.002

DO - 10.1016/j.cplett.2008.03.002

M3 - Article

SN - 0009-2614

VL - 456

SP - 55

EP - 58

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

Hydrogen sites and dynamics in light-weight hydrogen-storage material magnesium- scandium hydride investigated with 1H and 2H NMR

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