This article is cited in 3 papers

Graphenes

Transition metal and rare-earth metal atoms on single-layer graphene: Estimations of the charge transfer and adsorption energy

S. Yu. Davydov

Ioffe Institute, St. Petersburg

Abstract: A Hamiltonian accounting for $s$- and $d(f)$-states of adatoms has been proposed to describe adsorption of atoms of $d$- and $f$-metals on single-sheet graphene. It has been shown that s-electrons mainly contribute to the charge transfer $\Delta n_a$ between the adatom and graphene substrate. Analytical formulas proposed previously within the $M$-model of the graphene density of states are used for $\Delta n_a$ calculations. To estimate the adsorption energy, a simple analytical expression is proposed. Calculations are performed for 3$d$-, 4$d$-, 5$d$-, and 4$f$-adatoms. The results of calculations are compared with the data obtained by other authors.

Received: 30.01.2013

 English version: Physics of the Solid State, 2013, 55:7, 1536–1544

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