Mechanism of Si intercalation in defective graphene on SiC

Tuning the Structural, Electronic, and Magnetic Properties of Germanene by the Adsorption of 3d Transition Metal Atoms

“…hence dispersions (PBE-D) 22 , which should be included in multilayers of 2D systems [23][24][25][26] Si−Si, and Ge−Ge bond length of 1.42Å, 2.26Å, and 2.44Å, in a good agreement with the available reports. The obtained value of the cohesive energy decrease from graphene to germanene as expected, see Table 1.…”

Ultrathin silicatene/silicon-carbide hybrid film on a metal substrate

“…The reason the Si intercalated and did not form a new stable SiC layer remained unclear. On the basis of density functional theory (DFT) calculations, Kaloni et al [9] suggested an intercalation mechanism where Si migrates through atomic defects of the graphene sheet. Using scanning tunneling microscopy (STM) and x-ray photoelectron spectroscopy (XPS), Mao et al [10] showed that Si intercalating the graphene grown on Ru(0001) not only weakens the interaction of graphene with the metal substrate but also retains its superlative properties.…”

Ultra-thin silicate films on metals

“…Driven primarily by electronic applications, there were few attempts to combine graphene and silica in one system. It was found that Si readily migrates through the graphene sheet and intercalates the graphene/metal interface [101][102][103]. Subsequent oxidation resulted in an amorphous thin silica film between the graphene and the metal as judged by XPS [104].…”