Publikationsdatum:
2011-03-08
Beschreibung:
Author(s): Tesfaye A. Abtew, Bi-ching Shih, Pratibha Dev, Vincent H. Crespi, and Peihong Zhang A layered solid boron hydride structure (B_{2} H_{2} ) consisting of a hexagonal boron network and bridge hydrogen which has a gravimetric capacity of 8wt% hydrogen is predicted. The structural, electronic, and dynamical properties of the proposed structure are investigated using first-principles el... [Phys. Rev. B 83, 094108] Published Mon Mar 07, 2011
Schlagwort(e):
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Digitale ISSN:
1095-3795
Thema:
Physik
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