Mater.Phys.Mech.(MPM)
No 2, Vol. 42, 2019, pages 204-210

BORON AND NITROGEN DOPANT ATOMS PRECISE TUNING (INCREMENT AND REDUCTION)
OF CHARGE-TRANSFER RATES IN HYDROGENATED GRAPHENE

G.K. Sunnardianto, F. Triawan, A.M. Aamer, S. Hastuty,
A.B.D. Nandiyanto, A.G. Abdullah

Abstract

Graphene is a new remarkable material for diverse applications, especially when grapheme is interacted with hydrogen. The charge-transfer rates (CTR) from hydrogen to graphene is substantial to determine the electronic properties. A new approach to increase and decreases the charge-transfer from hydrogen to graphene is proposed. By using density functional theory calculation method, the effect of B and N doping on the CTR of hydrogenated graphene is investigated. The results found that both of dopants (B and N) had opposite effect on the CTR of hydrogenated graphene. B doping increased CTR, while N doping decreased CTR from hydrogen to graphene. The research finding may provide a promising rule for quantitatively tuning and or controlling of CTR in hydrogenation graphene by atom dopant, which is potential importance for their use in electrochemical and energyrelated application.

Keywords: charge-transfer rates (CTR), graphene, hydrogenation, coverage, dopant

full paper (pdf, 848 Kb)