  One popular approach to prepare graphene is to grow them on transition metal
substrates via chemical vapor deposition. By using the density functional
theory with dispersion correction, we systematically investigate for the first
time the interfacial properties of bilayer (BLG) and trilayer graphene (TLG) on
metal substrates. Three categories of interfacial structures are revealed. The
adsorption of B(T)LG on Al, Ag, Cu, Au, and Pt substrates is a weak
physisorption, but a band gap can be opened. The adsorption of B(T)LG on Ti,
Ni, and Co substrates is a strong chemisorption, and a stacking-insensitive
band gap is opened for the two uncontacted layers of TLG. The adsorption of
B(T)LG on Pd substrate is a weaker chemisorption, with a band gap opened for
the uncontacted layers. This fundamental study also helps for B(T)LG device
study due to inevitable graphene/metal contact.
