M.R. Pradana, A.L. Maulana, Y. Prasetyo, A.G. Saputro, M.K. Agusta, L.Y. Ginting, H.K. Dipojono
We try to use small size Ni cluster supported on graphitic material as an alternative for CO 2 hydrogenation catalyst. As an initial step, we study the ability of the supported Ni 4 cluster to interact with CO 2 molecule by means of density functional theory-based calculations. We find that strong CO2 adsorption can only be formed on top of the Ni 4 cluster site. Due to the strong Ni 4-CO 2 interaction, the CO 2 molecule is always adsorbed with a bidentate adsorption configuration on the Ni 4 cluster. The graphene surface and Ni 4-graphene interface cannot accommodate CO 2 chemisorption due to the weak graphene-CO 2 interaction. © Published under licence by IOP Publishing Ltd.
Advanced Functional Materials Research Group, Institut Teknologi Bandung, Jl. Ganesha 10, Bandung, 40132, Indonesia; Research Center for Nanosciences and Nanotechnology, Institut Teknologi Bandung, Jl. Ganesha 10, Bandung, 40132, Indonesia; Engineering Physics Program, Institut Teknologi Sumatera (ITERA), Jl. Terusan Ryacudu, Lampung, 35365, Indonesia
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