Two-Dimensional Anti-Van’t Hoff/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity

We report the discovery of a rule-breaking two-dimensional aluminum boride (AlB6–ptAl–array) nanosheet with a planar tetracoordinate aluminum (ptAl) array in a tetragonal lattice by comprehensive crystal structure search, first-principles calculations, and molecular dynamics simulations. It is a bra...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2019-02, Vol.141 (8), p.3630-3640
Main Authors: Song, Bingyi, Zhou, Yuan, Yang, Hui-Min, Liao, Ji-Hai, Yang, Li-Ming, Yang, Xiao-Bao, Ganz, Eric
Format: Article
Language:English
Subjects:
aluminum
boiling point
boron
crystal structure
graphene
helium
hydrogen
liquids
modulus of elasticity
molecular dynamics
nanosheets
simulation models
superconductivity
temperature
tensile strength
thermal stability
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