Chem. J. Chinese Universities ›› 2016, Vol. 37 ›› Issue (10): 1776.doi: 10.7503/cjcu20160284
• Articles: Inorganic Chemistry • Previous Articles Next Articles
MA Yong, LI Xiangzhi, LI Yongtao, LIU Dongming, ZHANG Qing’an, SI Tingzhi*()
Received:
2016-04-25
Online:
2016-10-10
Published:
2016-09-23
Contact:
SI Tingzhi
E-mail:tzsiahut@163.com
Supported by:
CLC Number:
TrendMD:
MA Yong, LI Xiangzhi, LI Yongtao, LIU Dongming, ZHANG Qing’an, SI Tingzhi. Phase Structures and Hydrogen Storage Properties of Mg2Ni1-xCox Alloys Prepared by Solid Solution Sintering†[J]. Chem. J. Chinese Universities, 2016, 37(10): 1776.
Atom | Site | g | Coordinate | B/nm2 | ||
---|---|---|---|---|---|---|
x | y | z | ||||
Mg | 1a | 1 | 0 | 0 | 0 | 0.026(1) |
Ni | 3c | 1 | 0 | 1/2 | 1/2 | 0.016(8) |
Co | 1b | 1 | 1/2 | 1/2 | 1/2 | 0.022(3) |
Table 1 Atomic coordinates, occupation factors(g) and isotropic thermal parameters(B) of MgNi3Co refined from X-ray powder diffraction data
Atom | Site | g | Coordinate | B/nm2 | ||
---|---|---|---|---|---|---|
x | y | z | ||||
Mg | 1a | 1 | 0 | 0 | 0 | 0.026(1) |
Ni | 3c | 1 | 0 | 1/2 | 1/2 | 0.016(8) |
Co | 1b | 1 | 1/2 | 1/2 | 1/2 | 0.022(3) |
Fig.3 Rietveld refinement of the observed XRD pattern for the sintered Mg2Ni0.85Co0.15 alloyThe calculated(line) and observed(+) X-ray diffraction patterns for sintered Mg2Ni0.85Co0.15 alloy are displayed above the vertical bars, below which shows the difference between the observed and calculated patters.
Sample | Phase | Space group | RI(%) | Lattice parameter/nm | Abundance(%) | |
---|---|---|---|---|---|---|
a | c | |||||
Mg2Ni0.9Co0.1 | Mg2(Ni, Co) | P6222 | 3.43 | 0.5216(1) | 1.3283(2) | 91 |
Rwp=6.58% | Mg | P63/mmc | 3.99 | 0.3207(2) | 0.5208(2) | 4 |
S=1.8 | MgNi3Co | Pm | 2.80 | 0.3810(1) | 5 | |
Mg2Ni0.85Co0.15 | Mg2(Ni, Co) | P6222 | 4.84 | 0.5218(1) | 1.3284(2) | 90 |
Rwp=7.00% | Mg | P63/mmc | 4.29 | 0.3208(2) | 0.5209(2) | 4 |
S=1.9 | MgNi3Co | Pm | 7.63 | 0.3813(1) | 6 | |
Mg2Ni0.8C | Mg2(Ni, Co) | P6222 | 4.68 | 0.5218(1) | 1.3291(1) | 89 |
Rwp=6.54% | Mg | P63/mmc | 4.83 | 0.3207(1) | 0.5207(2) | 5 |
S=1.4 | MgNi3Co | Pm | 5.59 | 0.3811(1) | 6 |
Table 2 Structural parameters and phase abundance of the sintered Mg2Ni1-xCox (x=0.10, 0.15, 0.20) alloys
Sample | Phase | Space group | RI(%) | Lattice parameter/nm | Abundance(%) | |
---|---|---|---|---|---|---|
a | c | |||||
Mg2Ni0.9Co0.1 | Mg2(Ni, Co) | P6222 | 3.43 | 0.5216(1) | 1.3283(2) | 91 |
Rwp=6.58% | Mg | P63/mmc | 3.99 | 0.3207(2) | 0.5208(2) | 4 |
S=1.8 | MgNi3Co | Pm | 2.80 | 0.3810(1) | 5 | |
Mg2Ni0.85Co0.15 | Mg2(Ni, Co) | P6222 | 4.84 | 0.5218(1) | 1.3284(2) | 90 |
Rwp=7.00% | Mg | P63/mmc | 4.29 | 0.3208(2) | 0.5209(2) | 4 |
S=1.9 | MgNi3Co | Pm | 7.63 | 0.3813(1) | 6 | |
Mg2Ni0.8C | Mg2(Ni, Co) | P6222 | 4.68 | 0.5218(1) | 1.3291(1) | 89 |
Rwp=6.54% | Mg | P63/mmc | 4.83 | 0.3207(1) | 0.5207(2) | 5 |
S=1.4 | MgNi3Co | Pm | 5.59 | 0.3811(1) | 6 |
Sample | Mg2Ni0.9Co0.1 | Mg2Ni0.85Co0.15 | Mg2Ni0.8Co0.2 |
---|---|---|---|
g(Ni/Co) | 0.84/0.16(2) | 0.72/0.28(5) | 0.64/0.36(3) |
Table 3 Occupation factor(g) of Co atoms in Ni(3d) sites of the Mg2(Ni, Co) phases
Sample | Mg2Ni0.9Co0.1 | Mg2Ni0.85Co0.15 | Mg2Ni0.8Co0.2 |
---|---|---|---|
g(Ni/Co) | 0.84/0.16(2) | 0.72/0.28(5) | 0.64/0.36(3) |
Fig.5 P-C isotherms of hydrogen absorption/desorption for the Mg2Ni1-xCox (x =0.10, 0.15, 0.20) alloys(A)—(C) and van’t Hoff plots in dehydriding process(D)(A) x =0.10; (B) x =0.15; (C) x =0.20. a. Mg2Ni0.9Co0.1-H2; b. Mg2Ni0.85Co0.15-H2; c. Mg2Ni0.8Co0.2-H2.
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