306 citations · 2.3k across the 38 of their papers we have counts for
4 papers · 1 filter
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…
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…
Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications
Silvana Botti, José A. Flores-Livas, Maximilian Amsler +2
We present state-of-the-art first-principle calculations of the electronic and optical properties of silicon allotropes with interesting characteristics for applications in thin-fi…
Prediction of a novel monoclinic carbon allotrope
Maximilian Amsler, José A. Flores-Livas, Silvana Botti +2
A novel allotrope of carbon with symmetry was identified during an \emph{ab-initio} minima-hopping structural search which we call -carbon. This structure is predicted…