  In the latest experimental advances, Ni-, Co- and Cu-HAB MOFs were
synthesized in 2D forms, with high electrical conductivities and capacitances
as well. Motivated by these experimental advances, we employed first-principles
simulations to explore the mechanical, thermal stability and electronic
properties of single-layer Ag-, Co-, Cr-, Cu-, Fe-, Mn-, Ni-, Pd- and Rh-HAB
MOFs. Theoretical results reveal that Co-, Cr-, Fe-, Mn-, Ni-, Pd- and Rh-HAB
nanosheets exhibit linear elasticity with considerable tensile strengths.
Ab-initio molecular dynamics results confirm the high thermal stability of all
studied nanomembranes. Co- and Fe-HAB monolayers show metallic behavior with
low spin-polarization at the Fermi level. Single-layer Ag-, Cu-, Cr-, and
Mn-HAB however yield perfect half-metallic behaviors, thus can be promising
candidates for the spintronics. In contrast, Ni-, Pd- and Rh-HAB monolayers
exhibit nonmagnetic metallic behavior. The insights provided by this
investigation confirm the stability and highlight the outstanding physics of
transition metal-HAB nanosheets, which are not only highly attractive for the
energy storage systems, but may also serve for other advanced applications,
like spintronics.
