Time-evolution of mean energy per molecule for the four interfaces of (-221) PTCDA and (100) pentacene. The triangles mark the mean energy at subsequent time steps where each relative orientation is represented by a different color. After few hundred picoseconds, equilibrium is reached and the energy, driven by the given temperature, fluctuates around an average value. The dashed lines represent the average energy between 1.5 ns and 3 ns of simulation time.
Poschlad et al. Nanoscale Research Letters 2012 7:248 doi:10.1186/1556-276X-7-248