Hydrogen storage properties of LaMg2Ni prepared by induction melting

Ouyang, Liuzhang; Yao, Linglong; Dong, Hanwu; Li, L.Q.; Zhu, Min

doi:10.1016/j.jallcom.2009.06.005

Cited by 25 publications

(11 citation statements)

References 22 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Miwa et al 17 and Sato et al 19 (Fig. 4) [11][12][13] . In our studies, we believe that the La-H interaction formed in LaMg 2 NiH 4.5 may drive the formation of La-H hydride (such as LaH 3 ), and therefore effectively catalyze the fully hydrogenation reaction to LaMg 2 NiH 7 .…”

Section: Resultsmentioning

confidence: 89%

“…The exchange-correlation function was treated by the generalized gradient approximation of Perdew-Wang 91 (GGA-PW91) 22 . The ultrasoft pseudopotentials with valence states 5s 2 5p 6 5d 1 6s 2 for La, 2p 6 3s 2 for Mg, 3d 8 4s 2 for Ni and 1s 1 8,[11][12][13] , and Ni atom on La-Ni alloy surface has good catalysis on the surface activity and the initial steps of hydrogen storage (hydrogen adsorption and dissociation) [24][25][26] . For these facts, here, the initial positions of H on LaMg 2 Ni (100) surface is on the bridge site of La-Ni atoms, the top site of La atom and the top site of Ni atom, as shown in Fig.…”

Section: Computational Detailsmentioning

confidence: 99%

See 1 more Smart Citation

First-principles investigation of LaMg2Ni and its hydrides

Jiang¹,

Chen²,

Mo³

et al. 2020

Sci Rep

View full text Add to dashboard Cite

Electronic structures of LaMg 2 Ni and its hydrides (intermediate phase LaMg 2 NiH 4.5 and fully hydrogenated phase LaMg 2 NiH 7) were systematically investigated using first-principles density functional theory calculations, in comparison with those of corresponding Co-and Pd-doped compounds (LaMg 2 Ni-Co, LaMg 2 NiH 4.5-Co, LaMg 2 NiH 7-Co, LaMg 2 Ni-Pd, LaMg 2 NiH 4.5-Pd and LaMg 2 NiH 7-Pd). Hydrogenation behavior on LaMg 2 Ni (100) surface was also studied. Our studies aim at providing new insights into the hyrogenation of LaMg 2 Ni. The results show the hydrogenation of LaMg 2 Ni to full hydride LaMg 2 NiH 7 is energetically favorable, as the metallic intermediate hydride LaMg 2 NiH 4.5 with Ni-H covalent bonds may act as the precursor state for LaMg 2 NiH 7 formation. The suppression of Mg-Ni and Ni-H interactions coupled with the formation of La-H bond may improve the hydrogenation performance of LaMg 2 Ni.

show abstract

Section: Resultsmentioning

confidence: 89%

Section: Computational Detailsmentioning

confidence: 99%

First-principles investigation of LaMg2Ni and its hydrides

Jiang¹,

Chen²,

Mo³

et al. 2020

Sci Rep

View full text Add to dashboard Cite

show abstract

“…Intermetallic compounds RNi 3 (R = rare earth metals) have been extensively investigated because of their relatively higher hydrogen storage capacity than that of traditional RNi 5 -based compounds [1][2][3][4][5]. In general, RNi 3 intermetallics crystallize either in the PuNi 3 -type rhombohedral structure (R-3m) or in the CeNi 3 -type hexagonal structure (P6 3 /mmc), differing only in the longrange stacking arrangement between the RNi 5 and RNi 2 subunits [6][7][8].…”

Section: Introductionmentioning

confidence: 99%

Hydrogen absorption–desorption features and degradation mechanism of ErNi3 compound

Xie¹,

Chen²,

Li³

et al. 2014

Journal of Alloys and Compounds

View full text Add to dashboard Cite

“…Recently, attentions have been moved to the LaMg 2 Ni alloy. The pristine LaMg 2 Ni alloy was produced through inductive melting method [18], and the maximum hydrogen storage capacity could reach to 1.96 wt.% at 564 K. It was discovered that the LaMg 2 Ni phase decomposed to Mg 2 NiH 4 and LaH 2.46 phases after the hydriding process. Moreover, the excellent performance in hydrogen storage properties could be attributed to the existence of the LaH 2.46 phase, which was useful to improve the hydriding kinetics of LaMg 2 Ni alloy.…”

Section: Introductionmentioning

confidence: 99%