Zobrazeno 1 - 10
of 64
pro vyhledávání: '"Josef Redinger"'
Autor:
Daniel Halwidl, Wernfried Mayr-Schmölzer, David Fobes, Jin Peng, Zhiqiang Mao, Michael Schmid, Florian Mittendorfer, Josef Redinger, Ulrike Diebold
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-8 (2017)
As ternary perovskite-type oxides are increasingly used in fuel cells and catalysis, greater understanding of their surface chemical properties is required. Here the authors report a pronounced ordering of hydroxyls on the cleaved (001) surface of Ca
Externí odkaz:
https://doaj.org/article/31dff372aae545f18ad93fc22e5422ab
Autor:
Wernfried Mayr-Schmölzer, Jakub Planer, Josef Redinger, Andreas Grüneis, Florian Mittendorfer
Publikováno v:
Physical Review Research, Vol 2, Iss 4, p 043361 (2020)
Zirconia (ZrO_{2}) has been well studied experimentally for decades, but still poses a severe challenge for computational approaches. We present thorough many-electron benchmark calculations within the random-phase approximation framework of the phas
Externí odkaz:
https://doaj.org/article/c970d06f42a142a08b36b9a4e128b669
Autor:
Jens Langer, Andreas Limbeck, Florian Mittendorfer, Florian Maier, Josef Redinger, Michael Schmid, Ulrike Diebold, Hans-Peter Steinrück, Bettina S. J. Heller, Lynn A. Boatner, Jakub Planer, Margareta Wagner
Publikováno v:
Physical Review Materials. 5
Publikováno v:
Surface Science. 680:24-31
Only recently, the activation of oxygen molecules on clean defect-free transition metal oxide surfaces has been reported, for example on the CaO-terminated surface of the Ruddelsden-Popper perovskite Ca3Ru2O7(001). In this work we show that oxygen mo
Autor:
Andreas Grüneis, Florian Mittendorfer, Wernfried Mayr-Schmölzer, Josef Redinger, Jakub Planer
Publikováno v:
Physical Review Research. 2
The authors show the shortcomings of density functional theory to produce a coherent description of theground state properties of ZrO${}_{2}$ polymorphs and show an alternative scheme using high-level many-electron methods.
Autor:
Lutz Hammer, M. Alexander Schneider, Josef Redinger, Maximilian Ammon, Thomas Fauster, Sara Baumann, Janek Rieger, Tilman Kißlinger
Publikováno v:
physica status solidi (RRL) – Rapid Research Letters. 15:2170035
Publikováno v:
The Journal of Physical Chemistry C. 120:13523-13530
Halogens can be used to steer the catalytic selectivity of transition metal surfaces. In the present work the structures of bromine on Pd(110) in the low-coverage c(2 × 4) and the high-coverage c(4 × 2) adlayers are investigated by density function
We investigate the adsorption of cobalt phthalocyanine (CoPc) molecules on a thin layer of cobalt oxide grown on Ir(100). To that end we compare the results of low-temperature scanning tunneling microscopy (STM) with those of ab-initio density functi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac2a1a01222e75b2acc36270c0631740
http://arxiv.org/abs/1810.09814
http://arxiv.org/abs/1810.09814
Autor:
Erminald Bertel, Christoph Thurner, Martin Sterrer, Michael Hollerer, Stefan Dürrbeck, Josef Redinger
Publikováno v:
Physical Review B. 98
The strongly anisotropic adsorbate system Br/Pt(110) exhibits an anomalous order-order phase transition due to competition between interadsorbate repulsion and charge density wave (CDW) correlations. The phase transition is preceded by fluctuations b
Autor:
Bernhard Stöger, Ulrike Diebold, Wernfried Mayr-Schmölzer, Daniel Halwidl, Florian Mittendorfer, Michael Schmid, Josef Redinger, Jin Peng, David Fobes, Gareth S. Parkinson, Jiri Pavelec, Zhiqiang Mao
Publikováno v:
Nature materials
Although perovskite oxides hold promise in applications ranging from solid oxide fuel cells to catalysts, their surface chemistry is poorly understood at the molecular level. Here we follow the formation of the first monolayer of water at the (001) s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b047d79767605da37b720aead19f50d
http://arxiv.org/abs/1804.05612
http://arxiv.org/abs/1804.05612