Universität zu Köln

Pielic, Borna, Hall, Joshua, Despoja, Vito, Rakic, Iva Srut, Petrovic, Marin ORCID: 0000-0002-2234-1207, Sohani, Ali, Busse, Carsten, Michely, Thomas and Kralj, Marko ORCID: 0000-0002-9786-3130 (2020). Sulfur Structures on Bare and Graphene-Covered Ir(111). J. Phys. Chem. C, 124 (12). S. 6659 - 6669. WASHINGTON: AMER CHEMICAL SOC. ISSN 1932-7455

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Abstract

We present a study of sulfur adsorption on bare Ir(111). Two well-defined superstructures are found: a (root 3 x root 3)R30 degrees and a c(4 x 2) S-adlayer. Moreover, we also investigate sulfur intercalation of graphene on Ir(111). For adsorption, sulfur is provided either in the form of the precursor molecule H2S or as elemental sulfur through sublimation from FeS2 heated in a Knudsen cell. On the basis of scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED), as well as density functional theory calculations (DFT), we present a model for the c(4 x 2) superstructure consistent with surface relaxations. We show that above a graphene coverage threshold, when islands of the two-dimensional (2D) material start to coalesce, the sulfur superstructure intercalated below graphene depends on the form in which sulfur is provided: c(4 x 2) forms in the case of exposure to elemental sulfur, while the (root 3 x root 3)R30 degrees superstructure forms in the case of H2S exposure. The two intercalation structures influence the graphene moire ' corrugation in different ways. We have used DFT calculations to determine sulfur adsorption energies, surface relaxations, and the influence of sulfur intercalation on the density of electronic states of graphene on Ir(111).

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Pielic, Borna UNSPECIFIED UNSPECIFIED UNSPECIFIED Hall, Joshua UNSPECIFIED UNSPECIFIED UNSPECIFIED Despoja, Vito UNSPECIFIED UNSPECIFIED UNSPECIFIED Rakic, Iva Srut UNSPECIFIED UNSPECIFIED UNSPECIFIED Petrovic, Marin UNSPECIFIED orcid.org/0000-0002-2234-1207 UNSPECIFIED Sohani, Ali UNSPECIFIED UNSPECIFIED UNSPECIFIED Busse, Carsten UNSPECIFIED UNSPECIFIED UNSPECIFIED Michely, Thomas UNSPECIFIED UNSPECIFIED UNSPECIFIED Kralj, Marko UNSPECIFIED orcid.org/0000-0002-9786-3130 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-340174
DOI:	10.1021/acs.jpcc.9b11641
Journal or Publication Title:	J. Phys. Chem. C
Volume:	124
Number:	12
Page Range:	S. 6659 - 6669
Date:	2020
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1932-7455
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language MOLECULAR-BEAM EPITAXY; DER-WAALS EPITAXY; ADSORPTION; OVERLAYER; GROWTH; SNSE2 Multiple languages Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/34017