W
Wolf Gero Schmidt
Researcher at University of Paderborn
Publications - 382
Citations - 9174
Wolf Gero Schmidt is an academic researcher from University of Paderborn. The author has contributed to research in topics: Density functional theory & Adsorption. The author has an hindex of 46, co-authored 366 publications receiving 8281 citations. Previous affiliations of Wolf Gero Schmidt include Massey University & University of South Africa.
Papers
More filters
Journal ArticleDOI
First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen
TL;DR: In this paper, a detailed density-functional theory study of clean Au(110) surfaces and the energetics of various atomic oxygen coverages is presented. And the surface energies of the clean reconstructed surfaces are found to be very close with an energy minimum for $\text{Au}(110)\text{\ensuremath{-}}(1\ifmmode\times\else\texttimes\fi{}r)$ reconstructed surfaces with $rg1$ allow further adsorption sites.
Journal ArticleDOI
pH-dependent structure and energetics of H2O/MgO(100)
Peter Thissen,Vera Thissen,Stefan Martin Wippermann,Yves J. Chabal,Guido Grundmeier,Wolf Gero Schmidt +5 more
TL;DR: In this article, the structure and energy of water on MgO(100) surfaces are studied by atomic force microscopy (AFM) and density-functional theory (DFT).
Journal ArticleDOI
Optical response of stoichiometric and congruent lithium niobate from first-principles calculations
TL;DR: In this paper, the frequency-dependent dielectric function and the second-order polarizability tensor of ferroelectric LiNbO3 are calculated from first principles, based on the electronic structure obtained from density functional theory.
Journal ArticleDOI
Atomic-resolution imaging of the polar (000 1 ¯ ) surface of LiNbO 3 in aqueous solution by frequency modulation atomic force microscopy
Sebastian Rode,R. Hölscher,Simone Sanna,Stefanie Klassen,Kento Kobayashi,Hirofumi Yamada,Wolf Gero Schmidt,Angelika Kühnle +7 more
TL;DR: In this paper, Rode, R.S. Rode et al., Sanna, S. Klassen, K. Kobayashi, H. Yamada, W. G. Schmidt, and A. Kuhnle.
Journal ArticleDOI
Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals
Andrea Sanson,Annamaria Zaltron,Nicola Argiolas,Cinzia Sada,Marco Bazzan,Wolf Gero Schmidt,Simone Sanna +6 more
TL;DR: In this paper, an extended x-ray absorption fine structure (EXAFS) spectroscopy study highlights evident changes in the local structure around iron that can be ascribed to the presence of small polarons.