skip to main content

DOE PAGESDOE PAGES

Title: A full monolayer of superoxide: oxygen activation on the unmodified Ca 3 Ru 2 O 7 (001) surface

Ca 3 Ru 2 O 7 (001), an oxide surface without dopants, defects, or low-coordinated sites, readily activates molecular oxygen to O 2 .
Authors:
ORCiD logo [1] ;  [2] ;  [1] ; ORCiD logo [3] ;  [3] ;  [3] ;  [1] ; ORCiD logo [2] ;  [2] ; ORCiD logo [1]
  1. Institute of Applied Physics, TU Wien, 1040 Vienna, Austria
  2. Institute of Applied Physics, TU Wien, 1040 Vienna, Austria, Center for Computational Materials Science
  3. Department of Physics and Engineering Physics, Tulane University, New Orleans, USA
Publication Date:
Grant/Contract Number:
SC0012432
Type:
Published Article
Journal Name:
Journal of Materials Chemistry A
Additional Journal Information:
Journal Name: Journal of Materials Chemistry A Journal Volume: 6 Journal Issue: 14; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1425710

Halwidl, Daniel, Mayr-Schmölzer, Wernfried, Setvin, Martin, Fobes, David, Peng, Jin, Mao, Zhiqiang, Schmid, Michael, Mittendorfer, Florian, Redinger, Josef, and Diebold, Ulrike. A full monolayer of superoxide: oxygen activation on the unmodified Ca 3 Ru 2 O 7 (001) surface. United Kingdom: N. p., Web. doi:10.1039/C8TA00265G.
Halwidl, Daniel, Mayr-Schmölzer, Wernfried, Setvin, Martin, Fobes, David, Peng, Jin, Mao, Zhiqiang, Schmid, Michael, Mittendorfer, Florian, Redinger, Josef, & Diebold, Ulrike. A full monolayer of superoxide: oxygen activation on the unmodified Ca 3 Ru 2 O 7 (001) surface. United Kingdom. doi:10.1039/C8TA00265G.
Halwidl, Daniel, Mayr-Schmölzer, Wernfried, Setvin, Martin, Fobes, David, Peng, Jin, Mao, Zhiqiang, Schmid, Michael, Mittendorfer, Florian, Redinger, Josef, and Diebold, Ulrike. 2018. "A full monolayer of superoxide: oxygen activation on the unmodified Ca 3 Ru 2 O 7 (001) surface". United Kingdom. doi:10.1039/C8TA00265G.
@article{osti_1425710,
title = {A full monolayer of superoxide: oxygen activation on the unmodified Ca 3 Ru 2 O 7 (001) surface},
author = {Halwidl, Daniel and Mayr-Schmölzer, Wernfried and Setvin, Martin and Fobes, David and Peng, Jin and Mao, Zhiqiang and Schmid, Michael and Mittendorfer, Florian and Redinger, Josef and Diebold, Ulrike},
abstractNote = {Ca 3 Ru 2 O 7 (001), an oxide surface without dopants, defects, or low-coordinated sites, readily activates molecular oxygen to O 2 − .},
doi = {10.1039/C8TA00265G},
journal = {Journal of Materials Chemistry A},
number = 14,
volume = 6,
place = {United Kingdom},
year = {2018},
month = {1}
}

Works referenced in this record:

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505