DOI: 10.1002/andp.201400079. Formation and diffusion characteristics of Pt clusters on Graphene, 1H‐MoS<sub>2</sub>and 1T‐TaS<sub>2</sub>

Formation and diffusion characteristics of Pt clusters on Graphene, 1H‐MoS2and 1T‐TaS2

10.1002/andp.201400079

Crossref journal-article

Wiley

Annalen der Physik (311)

Abstract

Many experiments have revealed that the surfaces of graphene and graphene‐like structures can play an active role as a host surface for clusterization of transition metal atoms. Motivated by these observations, we investigate theoretically the adsorption, diffusion and magnetic properties of Pt clusters on three different two‐dimensional atomic crystals using first principles density functional theory. We found that monolayers of graphene, molybdenum disulfide (1H‐MoS2) and tantalum disulfide (1T‐TaS2) provide different nucleation characteristics for Pt cluster formation. At low temperatures, while the bridge site is the most favorable site where the growth of a Pt cluster starts on graphene, top‐Mo and top‐Ta sites are preferred on 1H‐MoS2and 1T‐TaS2, respectively. Ground state structures and magnetic properties of Ptnclusters (2,3,4) on three different monolayer crystal structures are obtained. We found that the formation of Pt2dimer and a triangle‐shaped Pt3cluster perpendicular to the surface are favored over the three different surfaces. While bent rhombus shaped Pt4is formed on graphene, the formation of tetrahedral shaped clusters are more favorable on 1H‐MoS2and 1T‐TaS2. Our study of the formation of Ptnclusters on three different monolayers provides a gateway for further exploration of nanocluster formations on various surfaces.

Bibliography

Ozaydin, H. D., Sahin, H., Senger, R. T., & Peeters, F. M. (2014). Formation and diffusion characteristics of Pt clusters on Graphene, 1HâMoS2and 1TâTaS2. Annalen Der Physik, 526(9â10), 423â429. Portico.

Authors 4

H. Duygu Ozaydin (first)
Hasan Sahin (additional)
R. Tugrul Senger (additional)
Francois M. Peeters (additional)

References 51 Referenced 15

Dates

Type	When
Created	11 years, 2 months ago (June 16, 2014, 6:33 p.m.)
Deposited	1 year, 2 months ago (May 27, 2024, 3:37 p.m.)
Indexed	2 months, 2 weeks ago (June 10, 2025, 4:26 a.m.)
Issued	11 years, 2 months ago (June 16, 2014)
Published	11 years, 2 months ago (June 16, 2014)
Published Online	11 years, 2 months ago (June 16, 2014)
Published Print	10 years, 10 months ago (Oct. 1, 2014)

Funders 0

None

BibTeX

@article{Ozaydin_2014, title={Formation and diffusion characteristics of Pt clusters on Graphene, 1H‐MoS2and 1T‐TaS2}, volume={526}, ISSN={1521-3889}, url={http://dx.doi.org/10.1002/andp.201400079}, DOI={10.1002/andp.201400079}, number={9–10}, journal={Annalen der Physik}, publisher={Wiley}, author={Ozaydin, H. Duygu and Sahin, Hasan and Senger, R. Tugrul and Peeters, Francois M.}, year={2014}, month=jun, pages={423–429} }

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