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Klaus Hermann

Researcher at Max Planck Society

Publications -  124
Citations -  4250

Klaus Hermann is an academic researcher from Max Planck Society. The author has contributed to research in topics: Ab initio & Density functional theory. The author has an hindex of 33, co-authored 121 publications receiving 3959 citations. Previous affiliations of Klaus Hermann include Fritz Haber Institute of the Max Planck Society.

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Nature of the N-Pd interaction in nitrogen-doped carbon nanotube catalysts

TL;DR: In this article, the geometric and electronic structure of N species in N-doped carbon nanotubes (NCNTs) is derived by X-ray photoemission (XPS) and absorption spectroscopy (NEXAFS) of the N 1s core excitation.
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On the nature of the bonding of lone pair ligands to a transition metal

TL;DR: In this article, an analysis of the interaction of the closed shell, lone pair ligands CO, NH3 and PF3 with a Cu surface is presented, where charge rearrangements are divided into intra-unit polarization and interunit donation between the units.
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Geometric and electronic structure of vanadium pentoxide: A density functional bulk and surface study

TL;DR: In this article, the electronic properties of orthorhombic bulk slabs were investigated using the ab initio full-potential linear augmented plane wave (LPA) method.
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Self-metalation of 2H-tetraphenylporphyrin on Cu(111): An x-ray spectroscopy study

TL;DR: This systematic study provides an understanding of the changes of the spectroscopic signature during adsorption and metalation of 2H-tetraphenylporphyrin and indicates a reduced interaction of first-layer molecules with the substrate as demonstrated by the relaxed macrocycle geometry.