ADSORPSI ATOM ALUMINIUM PADA PERMUKAAN GRAFENA DENGAN METODE AM1 DARI PAKET HYPERCHEM
Abstract: Graphene has future
prospect for electronic industries. By adding some substituents this material
can be turned like a conductor or semiconductor. The study of aluminium atoms
adsorption on graphene surface (C24H12) by AM1 method of Hyperchem program using
a computer Intel Core I5–3240 processor 2.4 GHz, 2 GB of RAM had been done.
Aluminium atoms 2 and 4 atoms were dropped on three position : on top, bridge,
hollow on the graphene surface. The result of computation showed that some of
aluminium atoms could be adsorbed in the form of bridge tilted and top tilted
on the graphene surface and the others were desorbed from that surface forming
Al2 acyclic compounds; Al3 and Al4 cyclic and acyclic compounds. It was
observed that the Bonding Energy (BE) of graphene surface was -4630.8 kcal/mol
and -4672.4 until -4898.2 kcal/mol before and after aluminium atoms adsorption
respectively. While the band gab energy
(ΔE) of graphene surface was 7.2
eV and 3.4 – 6.0 eV at the condition previous. So, aluminium atoms are potentially
to change the graphene property from insulator to semiconductor.
Graphene also can be used as catalyst to form aluminium compounds.
Penulis: Rikha Septiani Yuda,
Imelda, Emdeniz
Kode Jurnal: jpkimiadd130217
