Ti-Zr-Ni Quasicrystals: Structure and Hydrogen Storage

1995 ◽  
Vol 400 ◽  
Author(s):  
R. M. Stroud ◽  
A. M. Viano ◽  
E. H. Majzoub ◽  
P. C. Gibbons ◽  
K. F. Kelton

AbstractTitanium-based icosahedral phases constitute the second largest class of quasicrystals. In contrast with other Ti-based icosahedral phases (i-phases), Ti-Zr-Ni i-phases are well ordered and their formation is inhibited by the presence of Si and O, elements that stabilize the Ti-3d transition metal quasicrystals. We present x-ray and DSC data that suggest that Ti-Zr-Ni i-phases form a different class of titanium-based quasicrystals that are closely related to the MgZn2 Laves phase. The DSC data also suggest that the i-phase may be stable in these alloys. The ability of Ti-Zr-Ni i-phases to absorb up to 62 atomic % of hydrogen is presented and discussed. This opens new avenues of investigation of the structure and dynamics of quasiperiodic phases using elastic and inelastic neutron scattering and nuclear magnetic resonance and may point to potential uses for quasicrystals in hydrogen storage applications.

2017 ◽  
Vol 19 (27) ◽  
pp. 17967-17984 ◽  
Author(s):  
Baltej Singh ◽  
Mayanak Kumar Gupta ◽  
Sanjay Kumar Mishra ◽  
Ranjan Mittal ◽  
P. U. Sastry ◽  
...  

van der Waals and Hubbard interactions are found to play an important role in the structure and dynamics of α-V2O5.


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