First-principles study of the F-terminated Boron Nitride nanoribbons

► Electromagnetic properties of the F-terminated BNNRs are studied in stead of the H-terminated ones. ► The F-terminated ZBNNRs are direct and both ZBNNRs and ABNNRs have smaller band gap than those of the H-terminated ones. ► Unlike scarce contribution of H atom to the charge density of, the contribution from F atom cannot be neglected.