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cond-mat.mtrl-sci2012★ 47 cited
Low-Energy Polymeric Phases of Alanates
Tran Doan Huan, Maximilian Amsler, Miguel A. L. Marques +3
Low-energy structures of alanates are currently known to be described by patterns of isolated, nearly ideal tetrahedral [AlH] anions and metal cations. We discover that the nov…
cond-mat.mtrl-sci2012★ 29 cited
Low-energy structures of zinc borohydride Zn(BH)
Tran Doan Huan, Maximilian Amsler, Vu Ngoc Tuoc +2
We present a systematic study of the low-energy structures of zinc borohydride, a crystalline material proposed for the hydrogen storage purpose. In addition to the previously prop…