镁基材料中储氢相及其界面与储氢性能的调控

李谦, 孙璇, 罗群, 刘斌, 吴成章, 潘复生

Regulation of Hydrogen Storage Phase and Its Interface in Magnesium-Based Materials for Hydrogen Storage Performance

LI Qian, SUN Xuan, LUO Qun, LIU Bin, WU Chengzhang, PAN Fusheng

表1 不同体系镁基储氢相的晶体结构和储氢容量^[19,25~41]

Table 1 Crystal structures and hydrogen storage capacities of magnesium-based hydrogen storage phases in different systems^[19,25-41]

Hydrogen	Pearson	Space group	Lattice	Hydride	Hydrogen storage	Ref.
storage	symbol		parameter		capacity
phase			nm		(mass fraction, %)
Mg	hP2	P63/mmc	a = b = 0.32, c = 0.52	MgH₂	7.60	[19]
Mg₂Ni	hP18	P6₂22	a = b = 0.52, c = 1.32	Mg₂NiH₄	3.62	[25]
Mg₂Cu	oF48	Fddd	a = 0.91, b = 1.8,	MgH₂	2.53	[25]
			c = 0.53
Mg₁₇Al₁₂	cI58	$I \bar{4} 3 m$	bcc a = 1.06	MgH₂	4.40	[19]
Mg₃La	cF16	$F m \bar{3} m$	bcc a = 0.75	MgH₂, LaH _x (x = 2-3)	2.89	[26]
Mg₁₇La₂	hP38	P63/mmc	a = b = 1.04,	MgH₂, LaH _x (x = 2-3)	4.87	[27,38]
			c =1.02
Mg₁₂Ce	tI26	I4/mmm	a = b = 1.03, c = 0.60	MgH₂, CeH_2.73	5.68	[28]
Mg₃Ce	cF16	$F m \bar{3} m$	bcc a = 0.74	MgH₂, CeH_2.73	3.62	[28]
Mg₁₂Nd	tI26	I4/mmm	a = b = 1.03, c = 0.59	MgH₂, NdH_2.61	5.63	[29]
Mg₂₄Y₅	cI58	$I \bar{4} 3 m$	bcc a = 1.13	MgH₂, YH _x (x = 2-3)	5.34	[30]
18R-LPSO (Mg₈₅Zn₆Y₉)	-	C2/m	a = 1.11, b = 1.93,	MgH₂, YH _x (x = 2-3)	4.60-5.30	[31]
18R-LPSO (Mg₈₅Zn₆Y₉)			c = 1.60
18R-LPSO	-	P6₃22	a = b = 0.31, c = 4.86	MgH₂, Mg₂NiH₄, YH _x	4.60	[32]
(Mg₁₂YNi)				(x = 2-3)
14H-LPSO	-	P6₃/mcm	a = b = 1.11, c = 3.66	MgH₂, YH _x (x = 2-3)	5.48	[33]
(Mg₉₂Cu_3.5Y_4.5)
Nd₄Mg₈₀Ni₈	tI92	I4₁/amd	a = b = 1.27, c = 1.59	MgH₂, Mg₂NiH₄, NdH_2.61	4.94	[37]
Nd₁₆Mg₉₆Ni₁₂	oS124	Cmc2₁	a = 1.53, b = 2.17,	MgH₂, Mg₂NiH₄, NdH_2.61	3.92	[36]
			c = 0.95
NdMg₂Ni	oS16	Cmcm	a = 0.41, b = 1.02,	MgH₂, Nd_2.61	2.07	[39]
			c = 0.83
LaMg₂Ni	oS16	Cmcm	a = 0.42, b = 1.03,	LaMg₂NiH₇	1.92	[39]
			c = 0.84
La₂MgNi₉	hR36	$R \bar{3} m$	a = b = 0.50, c = 2.43	La₂MgNi₉H₁₂	1.60	[40]
LaMgNi₄	cF24	$F \bar{4} 3 m$	bcc a =0.72	LaMgNi₄H₇	1.40	[41]
2H-La₃MgNi₁₄	-	P6₃/mmc	a = b = 0.50, c = 2.42	La₃MgNi₁₄H₁₈	-	[34]
3R-La₃MgNi₁₄	-	$R \bar{3} m$	a = b = 0.50, c = 3.61
2H-La₄MgNi₁₉	-	P6₃/mmc	a = b = 0.50, c = 3.23	La₄MgNi₁₉H₂₄	1.50	[35]
3R-La₄MgNi₁₉	-	$R \bar{3} m$	a = b = 0.50, c = 4.82