Atomistic potential for graphene and other sp2 carbon systems.
Fthenakis ZG, Kalosakas G, Chatzidakis GD, Galiotis C, Papagelis K, Lathiotakis NN.
Fthenakis ZG, et al. Among authors: kalosakas g.
Phys Chem Chem Phys. 2017 Nov 22;19(45):30925-30932. doi: 10.1039/c7cp06362h.
Phys Chem Chem Phys. 2017.
PMID: 29136070
We introduce a torsional force field for sp(2) carbon to augment an in-plane atomistic potential of a previous work [G. Kalosakas et al., J. Appl. Phys., 2013, 113, 134307] so that it is applicable to out-of-plane deformations of graphene and related carbon material …
We introduce a torsional force field for sp(2) carbon to augment an in-plane atomistic potential of a previous work [G. Kalosakas …