Institute of Theoretical Chemistry: Selected Publications
For some publications you can either download a gzipped PostScript file or a PDF file of the preprint version, a PDF file of the final article, or a link to the online version of the respective journal is provided. A download of the online version may require an authorization.
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Gallery of cover images and graphics
Publications in 2017
- Luis A. Mancera, Albert K. Engstfeld, Andreas Bensch, R. Jürgen Behm, and A. Groß, Challenges in bimetallic multilayer structure formation: Pt growth on Cu monolayers on Ru(0001), PhysChemChemPhys 19, 24100-24014 (2017).
[ PCCP online ] - Mohammad Javad Eslamibidgoli, Axel Groß, and Michael Eikerling, Surface configuration and wettability of nickel (oxy)hydroxides: a first principles investigation, PhysChemChemPhys 19, 22659-22669 (2017). (selected as PCCP HOT article)
[ PCCP online , Inside Cover ] - F.-Q. Xie, X.-H. Lin, A. Gross, F. Evers, F. Pauly, and Th. Schimmel, Multiplicity of atomic reconfigurations in a Pb single-atom transistor, Phys. Rev. B 95, 195415 (2017).
[ Preprint , Phys. Rev. B online ] - A. Sergeev, A. Chertovich, D. Itkis, A. Sen, A. Groß, A. Khoklov, Electrode/electrolyte interface in the Li-O2 battery: Insight from molecular dynamics study, J. Phys. Chem. C 121, 14463-14469 (2017).
[arXiv , J. Phys. Chem. C online ] - Axel Groß and Ludwig A. Kibler, Elementary reaction steps in Electrocatalysis: Theory meets experiment, Foreword of a Special Issue of Electrocatalysis, Electrocatal. 8, 499-500 (2017).
[ Preprint , Electrocatalysis online , Front cover ] - Sung Sakong and Axel Groß, Methanol oxidation on Pt(111) from first-principles in heterogeneous and electro-catalysis, Electrocatal. 8, 577-586 (2017).
[ Preprint , Electrocatalysis online ] - Sung Sakong, Julia M. Fischer, David Mahlberg, R. Jürgen Behm and Axel Groß, Influence of step and island edges on local adsorption properties: Hydrogen adsorption on Pt monolayer island modified Ru(0001) electrodes, Electrocatal. 8, 530-539 (2017).
[ Preprint , Electrocatalysis online ]