J
Joachim Sauer
Researcher at Humboldt University of Berlin
Publications - 452
Citations - 26262
Joachim Sauer is an academic researcher from Humboldt University of Berlin. The author has contributed to research in topics: Density functional theory & Ab initio. The author has an hindex of 83, co-authored 439 publications receiving 23885 citations. Previous affiliations of Joachim Sauer include Humboldt State University & Centre national de la recherche scientifique.
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Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
TL;DR: In this article, structural and electronic properties and energetic quantities related to the formation of oxygen defects at transition metal (TM) and rare earth (RE) oxide surfaces, neutral oxygen vacancies in particular, play a major role in a variety of technological applications.
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Oxygen defects and surface chemistry of ceria: quantum chemical studies compared to experiment.
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Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalysts
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Theoretical Study of van der Waals Complexes at Surface Sites in Comparison with the Experiment
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Hybrid functionals applied to rare-earth oxides: The example of ceria
TL;DR: In this paper, periodic density functional theory (DFT) calculations for the ground state properties of ground state structures were performed using the Perdew-Burke-Ernzerhof (PBE0) and Heyd-Scuseria-Ernerhof (HSE) hybrid functionals that include nonlocal Fock exchange.