For now our sp2 module only takes into account sp2 systems formed of C, B or N atoms. However O atoms also can form sp2 bonds with Carbon atoms.
Following Ref. Nano Lett. 2022, 22, 1, 164–171 we could add the possibility to have O atoms in the Hamiltonian using those parameters.
For now our
sp2module only takes into account sp2 systems formed of C, B or N atoms. However O atoms also can form sp2 bonds with Carbon atoms. Following Ref. Nano Lett. 2022, 22, 1, 164–171 we could add the possibility to have O atoms in the Hamiltonian using those parameters.