Adsorption of C60 Fullerene on Defect-Free Graphene

Stel’makh, V. G.; Yadgarov, I.D.; Ulukmuradov, Abror

doi:10.52304/.v20i5.122

Cited by 1 publication

(1 citation statement)

References 5 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For this, a rectangular section of graphene was chosen, consisting of 112 carbon atoms (Figure 1). The construction and substantiation of the model is described in more detail in [26].…”

Section: Methods and Investigated Materialsmentioning

confidence: 99%

Simulation of Interaction Processes of C20 Fullerene with Graphene

Yadgarov,

Umarov,

Kosimov

et al. 2023

East Eur. J. Phys.

View full text Add to dashboard Cite

Graphene, a carbon sheet one atom thick, with carbon atoms arranged in a two-dimensional honeycomb configuration, has a number of intriguing properties. Fullerenes are a promising material for creating electro-active elements in solar cells and active layers in thin-film organic transistors. A computer model of the C20 fullerene molecule was constructed using the energy minimization method with the second-generation Brenner potential (REBO). A computer model of "infinite" defect-free graphene was built, designed to consider the process of adsorption of a C20 fullerene molecule on its surface. To study adsorption process computer models of fullerene and "infinite" graphene were approached to the required distance with a different set of geometric arrangement of fullerene with respect to the graphene surface. It has been established that the adsorption of fullerene C20 on the surface of graphene can be carried out in three different ways, differing in the number of interacting fullerene and graphene atoms. The binding energies and adsorption lengths for C20 fullerene molecules adsorbed on the graphene surface in different ways are calculated. The way of adsorption corresponding to the highest binding energy and the shortest adsorption length was revealed.

show abstract

“…For this, a rectangular section of graphene was chosen, consisting of 112 carbon atoms (Figure 1). The construction and substantiation of the model is described in more detail in [26].…”

Section: Methods and Investigated Materialsmentioning

confidence: 99%