Structures and electronic states of halogen-terminated graphene nano-flakes

Theoretical studies of optoelectronic, magnetization and heat transport properties of conductive metal adatoms adsorbed on edge chlorinated nanographenes

“…Novel and interesting phenomena result in the nanoscales of metallic nanowires which is different from their bulk materials. 33–35 The effect on quantized conductance has also been verified by numerous nanoscale systems experimentally, 32 and the electronic structure, ballistic quantum transport properties, and e–pH coupling for atomic wires of Al and coinage metals has already been reported previously. 36 A theoretical investigation for coinage metal atoms (Cu, Ag, Au) and clusters on graphite and graphene 36–38 were carried out to observe the interaction, charge transfer, distances, nature of binding between graphene and metal, as well as the electronic and structural properties for understanding the metal–graphene interaction for the development of hybrid materials with specific properties.…”

“…The calculated energy position of the LUMO in C1–C5 spans from −3.37 eV to −4.01 eV, which is suited for electron injection in n-channel semiconductors. 32 It also indicate the application of these Cl NGRs as electronic acceptors in devices. The adsorption of metal and metal dimers tunes the band gap within these complexes.…”

Electronic and thermal conduction properties of halogenated porous graphene nanoribbons

“…Halogen-terminated graphene nano-flakes [30] and graphene based structures with absorbed halogen [31] have been reported to possess tunable electronic properties. Halogenated graphenes were produced by thermal exfoliation of graphite oxide in different gaseous halogen atmospheres [32].…”