Extended Data Fig. 8 | Calculated binding energy of six typical B 6 N 7 –Cu (111)
configurations, taking into account docking to top-layer Cu step edges.
a, Atomic models of six configurations, showing the optimized in-plane
distance, Di, away from A-step (red) or B-step (blue) edges. b, Binding energies
as a function of Di (in units of 3/a 3 , where a is the lattice constant of Cu (111)),
with the lowest-energy configurations marked with arrows. Plane-to-plane
epitaxy corresponds to the absence of (or infinity distance away from) the step