Study of the Cu–Li–Mg–H system by thermal analysis

Braga, Maria Helena; Ferreira, Jorge A.; Wolverton, Mark

doi:10.1007/s10973-011-2126-0

Cited by 4 publications

(3 citation statements)

References 26 publications

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“…All the reactions occurring in this autocatalytic system can be completely proved by both experimental (Figure 1 and 2, [1,13]) and first principles calculations data (Table I). It is an extremely interesting and well identified process.…”

Section: Discussionsupporting

confidence: 56%

“…We have studied CuLi 0.08 Mg 1.92 and determined that the compound reacts with hydrogen to form CuLi 0.08 Mg 1.92 H 5 [1]. Additionally, we have proposed the compound as a negative electrode material which is the main purpose of the present study.…”

Section: Introductionmentioning

confidence: 92%

“…Other Li alloy anodes, like Li 22 Si 5 , also suffer from short life-cycle due to the extremely high increase in volume (△V theoretical = 316 %). We have studied CuLi 0.08 Mg 1.92 and determined that the compound reacts with hydrogen to form CuLi 0.08 Mg 1.92 H 5 [1]. Moreover, we have observed that the latter compound acts as a catalyst in the formation/hydrogen desorption of MgH 2 , LiH and TiH 2 [2].…”

Section: Introductionmentioning

confidence: 95%

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First principles calculations and experiments for Cu-Mg/Li hydrides negative electrodes

et al. 2013

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We have studied CuLi 0.08 Mg 1.92 and determined that the compound reacts with hydrogen to form CuLi 0.08 Mg 1.92 H 5 [1]. Additionally, we have proposed the compound as a negative electrode material which is the main purpose of the present study. Moreover, we have observed that the latter compound acts as a catalyst in the formation of MgH 2 , LiH, TiH 2 [2] and hydrogen desorption. In this work, first principles and phonon calculations were performed in order to establish the reactions occurring at the negative electrode of a Li conversion battery in presence of CuLi 0.08 Mg 1.92 H 5 and (Li) -solid solution of Mg in Li -approximately Li 2 Mg 3 . We have calculated the minimum theoretical specific capacity to be 1156 mAh/g (for an anode with 100% of CuLi 0.08 Mg 1.92 H 5 ) and the △E eq = 0.81 V (vs. Li + /Li) at 298 K. Furthermore, we have determined all the reactions occurring in the referred system and its sequence using Inelastic Incoherent Neutron Scattering (IINS) and X-Ray Diffraction (XRD).

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Section: Discussionsupporting

confidence: 56%

Section: Introductionmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 95%

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First principles calculations and experiments for Cu-Mg/Li hydrides negative electrodes

et al. 2013

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High-pressure DSC study on the hydriding and dehydriding of Mg/C nanocomposites

Grigorova

Spassova

Khristov

et al. 2013

J Therm Anal Calorim

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The catalytic reactions in the Cu–Li–Mg–H high capacity hydrogen storage system

Braga

El–Azab

2014

Phys. Chem. Chem. Phys.

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A family of hydrides, including the high capacity MgH2 and LiH, is reported. The disadvantages these hydrides normally display (high absorption/desorption temperatures and poor kinetics) are mitigated by Cu-hydride catalysis. This paper reports on the synthesis of novel CuLi0.08Mg1.42H4 and CuLi0.08Mg1.92H5 hydrides, which are structurally and thermodynamically characterized for the first time. The CuLi0.08Mg1.42H4 hydride structure in nanotubes is able to hold molecular H2, increasing the gravimetric and volumetric capacity of this compound. The catalytic effect these compounds show on hydride formation and decomposition of CuMg2 and Cu2Mg/MgH2, Li and LiH, Mg and MgH2 is analyzed. The Gibbs energy, decomposition temperature, and gravimetric capacity of the reactions occurring within the Cu-Li-Mg-H system are presented for the first time. First principles and phonon calculations are compared with experiments, including neutron spectroscopy. It is demonstrated that the most advantageous sample contains CuLi0.08Mg1.92 and (Li) ∼ Li2Mg3; it desorbs/absorbs hydrogen according to the reaction, 2CuLi0.08Mg1.42H4 + 2Li + 4MgH2 ↔ 2CuLi0.08Mg1.92 + Li2Mg3 + 8H2 at 114 °C (5.0 wt%) - 1 atm, falling within the proton exchange membrane fuel cell applications window. Finally the reaction 2CuLi0.08Mg1.42H4 + MgH2 ↔ 2CuLi0.08Mg1.92 + 5H2 at 15 °C (4.4 wt%) - 1 atm is found to be the main reaction of the samples containing CuLi0.08Mg1.92 that were analyzed in this study.

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Study of the Cu–Li–Mg–H system by thermal analysis

Cited by 4 publications

References 26 publications

First principles calculations and experiments for Cu-Mg/Li hydrides negative electrodes

First principles calculations and experiments for Cu-Mg/Li hydrides negative electrodes

High-pressure DSC study on the hydriding and dehydriding of Mg/C nanocomposites

The catalytic reactions in the Cu–Li–Mg–H high capacity hydrogen storage system

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