ORCID Profile
0000-0003-4037-7331
Current Organisation
Universität Ulm
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Publisher: American Physical Society (APS)
Date: 12-04-2013
Publisher: American Chemical Society (ACS)
Date: 21-11-2014
DOI: 10.1021/JP5093898
Publisher: Elsevier BV
Date: 2015
Publisher: American Chemical Society (ACS)
Date: 31-05-2011
DOI: 10.1021/JA2025855
Abstract: The competition between intermolecular interactions and lateral variations in the molecule-substrate interactions has been studied by scanning tunneling microscopy (STM), comparing the phase formation of (sub)monolayers of the organic molecule 2,4'-BTP on buckled graphene/Ru(0001) and Ag(111) oriented thin films on Ru(0001). On the Ag films, the molecules form a densely packed 2D structure, while on graphene/Ru(0001), only the areas between the maxima are populated. The findings are rationalized by a high corrugation in the adsorption potential for 2,4'-BTP molecules on graphene/Ru(0001). These findings are supported by temperature programmed desorption (TPD) experiments and theoretical results.
Publisher: Elsevier BV
Date: 02-2015
Publisher: The Royal Society
Date: 10-2016
Abstract: The adsorption of water on bimetallic PtRu/Pt(111) surface alloys has been studied based on periodic density functional theory calculations including dispersion corrections. The Ru atoms of the PtRu surface alloy interact more strongly with water than Pt atoms, as far as both single water molecules and ice-like hexagonal structures are concerned. Within the surface alloy layer, the lateral ligand effect reducing the local reactivity of the surface atoms with increasing Ru content is more dominant than the opposing geometric effect due to the tensile strain. The structural preference for the Ru atoms also prevails at room temperature, as ab initio molecular dynamics simulations show.
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4CP00237G
Abstract: In this study, we provide a complete picture of how adatoms can reduce the work function of a metal surface by contrasting two independent mechanisms.
Publisher: Beilstein Institut
Date: 10-02-2014
DOI: 10.3762/BJNANO.5.15
Abstract: The properties of a halogen-covered platinum(111) surface have been studied by using density functional theory (DFT), because halides are often present at electrochemical electrode/electrolyte interfaces. We focused in particular on the halogen-induced work function change as a function of the coverage of fluorine, chlorine, bromine and iodine. For electronegative adsorbates, an adsorption-induced increase of the work function is usually expected, yet we find a decrease of the work function for Cl, Br and I, which is most prominent at a coverage of approximately 0.25 ML. This coverage-dependent behavior can be explained by assuming a combination of charge transfer and polarization effects on the adsorbate layer. The results are contrasted to the adsorption of fluorine on calcium, a system in which a decrease in the work function is also observed despite a large charge transfer to the halogen adatom.
Publisher: Elsevier BV
Date: 03-2013
Publisher: Elsevier BV
Date: 10-2016
Publisher: Elsevier BV
Date: 08-2013
Publisher: The Electrochemical Society
Date: 2014
DOI: 10.1149/2.003408JES
Publisher: Elsevier BV
Date: 03-2008
Publisher: American Chemical Society (ACS)
Date: 20-06-2016
No related grants have been discovered for Axel Gross.