Thermodynamically neutral Kubas-type hydrogen storage using amorphous Cr(iii) alkyl hydride gels

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Thermodynamically neutral Kubas-type hydrogen storage using amorphous Cr(iii) alkyl hydride gels. / Morris, Leah; Trudeau, Michel L.; Reed, Daniel; Book, David; Antonelli, David M.

In: Physical Chemistry Chemical Physics, Vol. 17, No. 14, 14.04.2015, p. 9480-9487.

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@article{28285d64a8e3431c8ab6e1e03a68a94d,
title = "Thermodynamically neutral Kubas-type hydrogen storage using amorphous Cr(iii) alkyl hydride gels",
abstract = "In this paper we present amorphous chromium(III) hydride gels that show promise as reversible room temperature hydrogen storage materials with potential for exploitation in mobile applications. The material uses hydride ligands as a light weight structural feature to link chromium(III) metal centres together which act as binding sites for further dihydrogen molecules via the Kubas interaction, the mode of hydrogen binding confirmed by high pressure Raman spectroscopy. The best material possesses a reversible gravimetric storage of 5.08 wt% at 160 bar and 25 °C while the volumetric density of 78 kgH2 m−3 compares favourably to the DOE ultimate system goal of 70 kg m−3. The enthalpy of hydrogen adsorption is +0.37 kJ mol−1 H2 as measured directly at 40 °C using an isothermal calorimeter coupled directly to a Sieverts gas sorption apparatus. These data support a mechanism confirmed by computations in which the deformation enthalpy required to open up binding sites is almost exactly equal and opposite to the enthalpy of hydrogen binding to the Kubas sites, and suggests that this material can be used in on-board applications without a heat management system.",
author = "Leah Morris and Trudeau, {Michel L.} and Daniel Reed and David Book and Antonelli, {David M.}",
year = "2015",
month = apr,
day = "14",
doi = "10.1039/C5CP00412H",
language = "English",
volume = "17",
pages = "9480--9487",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "14",

}

RIS

TY - JOUR

T1 - Thermodynamically neutral Kubas-type hydrogen storage using amorphous Cr(iii) alkyl hydride gels

AU - Morris, Leah

AU - Trudeau, Michel L.

AU - Reed, Daniel

AU - Book, David

AU - Antonelli, David M.

PY - 2015/4/14

Y1 - 2015/4/14

N2 - In this paper we present amorphous chromium(III) hydride gels that show promise as reversible room temperature hydrogen storage materials with potential for exploitation in mobile applications. The material uses hydride ligands as a light weight structural feature to link chromium(III) metal centres together which act as binding sites for further dihydrogen molecules via the Kubas interaction, the mode of hydrogen binding confirmed by high pressure Raman spectroscopy. The best material possesses a reversible gravimetric storage of 5.08 wt% at 160 bar and 25 °C while the volumetric density of 78 kgH2 m−3 compares favourably to the DOE ultimate system goal of 70 kg m−3. The enthalpy of hydrogen adsorption is +0.37 kJ mol−1 H2 as measured directly at 40 °C using an isothermal calorimeter coupled directly to a Sieverts gas sorption apparatus. These data support a mechanism confirmed by computations in which the deformation enthalpy required to open up binding sites is almost exactly equal and opposite to the enthalpy of hydrogen binding to the Kubas sites, and suggests that this material can be used in on-board applications without a heat management system.

AB - In this paper we present amorphous chromium(III) hydride gels that show promise as reversible room temperature hydrogen storage materials with potential for exploitation in mobile applications. The material uses hydride ligands as a light weight structural feature to link chromium(III) metal centres together which act as binding sites for further dihydrogen molecules via the Kubas interaction, the mode of hydrogen binding confirmed by high pressure Raman spectroscopy. The best material possesses a reversible gravimetric storage of 5.08 wt% at 160 bar and 25 °C while the volumetric density of 78 kgH2 m−3 compares favourably to the DOE ultimate system goal of 70 kg m−3. The enthalpy of hydrogen adsorption is +0.37 kJ mol−1 H2 as measured directly at 40 °C using an isothermal calorimeter coupled directly to a Sieverts gas sorption apparatus. These data support a mechanism confirmed by computations in which the deformation enthalpy required to open up binding sites is almost exactly equal and opposite to the enthalpy of hydrogen binding to the Kubas sites, and suggests that this material can be used in on-board applications without a heat management system.

U2 - 10.1039/C5CP00412H

DO - 10.1039/C5CP00412H

M3 - Article

C2 - 25766409

VL - 17

SP - 9480

EP - 9487

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 14

ER -