I want to use the REBO-CHO potential to study graphene oxide. However, I found that there is no REBO-CHO potential included in current LAMMPS package. The available parameters are only for element C and H in CH.airebo, lacking of the parameters for O.
I found that Fonseca et al. have developed the REBO-CHO potential for graphene oxide (PHYSICAL REVIEW B 84, 075460 (2011)). Is there anyone have parameterized it into LAMMPS format, and would like to share it? If NO, is there any document to introduce the format of the .airebo file, and how to parameterized the force field parameters into LAMMPS?
Dechang Li, Ph.D