Number of the records: 1
Ortho and para hydrogen dimers on G/SiC(0001): combined STM and DFT study
- 1.
SYSNO ASEP 0456658 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Ortho and para hydrogen dimers on G/SiC(0001): combined STM and DFT study Author(s) Merino, P. (ES)
Švec, Martin (FZU-D) RID, ORCID
Martinez, J.I. (ES)
Mutombo, Pingo (FZU-D) RID, ORCID
González, C. (ES)
Martín-Gago, J.A. (ES)
de Andres, P.L. (ES)
Jelínek, Pavel (FZU-D) RID, ORCIDSource Title Langmuir. - : American Chemical Society - ISSN 0743-7463
Roč. 31, č. 1 (2015), s. 233-239Number of pages 7 s. Language eng - English Country US - United States Keywords epitaxial graphene ; atomic-hydrogen ; graphite ; interface Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects GA14-02079S GA ČR - Czech Science Foundation (CSF) Institutional support FZU-D - RVO:68378271 UT WOS 000348085900032 EID SCOPUS 84921323159 DOI 10.1021/la504021x Annotation The hydrogen (H) dimer structures formed upon room-temperature H adsorption on single layer graphene (SLG) grown on SiC(0001) are addressed using a combined theoretical-experimental approach. Our study includes density functional theory (DFT) calculations for the full (6 root 3 x 6v3)R30 degrees unit cell of the SLG/SiC(0001) substrate and atomically resolved scanning tunneling microscopy images determining simultaneously the graphene lattice and the internal structure of the H adsorbates. We show that H atoms normally group in chemisorbed coupled structures of different sizes and orientations. We make an atomic scale determination of the most stable experimental geometries, the small dimers and ellipsoid-shaped features, and we assign them to hydrogen adsorbed in para dimers and ortho dimers configuration, respectively, through comparison with the theory. Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2016
Number of the records: 1