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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.
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Journal Article
Vibrational properties of LiNb1−xTaxO3 mixed crystals
Michael Rüsing,Simone Sanna,Sergej Neufeld,Gerhard Berth,Wolf Gero Schmidt,Artur Zrenner,Haohai Yu,Y. G. Wang,Hongbin Zhang +8 more
TL;DR: In this article, the structural and vibrational properties of the mixed lithium niobate and lithium tantalate mixed crystals are studied extensively by x-ray diffraction measurements, Raman spectroscopy, and density functional theory.
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Atomic scale design of nanostructures
Jerry Bernholc,Wenbin Lu,Serge Nakhmanson,P. H. Hahn,Vincent Meunier,M. Buongiorno Nardelli,Wolf Gero Schmidt +6 more
TL;DR: In this paper, the authors provide a qualitative picture and quantitative understanding of the mechanism leading to negative differential resistance for a large class of small molecules, and for ferroelectric polymers, their calculations show that their polarization is described by cooperative, quantum-mechanical interactions between polymer chains.
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Paramagnetic signature of microcrystalline silicon carbide
A. Konopka,B Aşik,Uwe Gerstmann,Eva Rauls,N. J. Vollmers,Martin Rohrmüller,Wolf Gero Schmidt,Bettina Friedel,Siegmund Greulich-Weber +8 more
TL;DR: In this article, the authors proposed s-SiC microcrystals grown by a sol-gel based process as a promising acceptor material, characterised by optical spectroscopy and electron paramagnetic resonance (EPR).
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Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface
TL;DR: In this article, the formation of hydrogen bonds was investigated on the P-rich InP(001) surface employing attenuated total-reflection Fourier transform infrared spectroscopy, low-energy electron diffraction, and total energy density functional theory calculations.
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InP and AlInP(001)(2 × 4) Surface Oxidation from Density Functional Theory
TL;DR: In this paper, the atomic structure and electronic properties of the InP and Al0.5In 0.5P(001) surfaces at the initial stages of oxidation are investigated via density functional theory.