25 research outputs found
Bending modes, elastic constants and mechanical stability of graphitic systems
The thermodynamic and mechanical properties of graphitic systems are strongly
dependent on the shear elastic constant C44. Using state-of-the-art density
functional calculations, we provide the first complete determination of their
elastic constants and exfoliation energies. We show that stacking
misorientations lead to a severe lowering of C44 of at least one order of
magnitude. The lower exfoliation energy and the lower C44 (more bending modes)
suggest that flakes with random stacking should be easier to exfoliate than the
ones with perfect or rhombohedral stacking. We also predict ultralow friction
behaviour in turbostratic graphitic systems.Comment: 7 pages, 6 figure