Publication list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Printed Original Contributions
2015 - 2015
15 records
Publications in Scientific Journals
-
P. Bazylevski, V. Nguyen, R. Bauer, A. Hunt, E. McDermott, B. Leedahl, A. Kukharenko, E. Kurmaev, P. Blaha, A. Moewes, Y. Lee, G. Chang:
"Selective Area Band Engineering of Graphene using Cobalt-Mediated Oxidation";
Scientific Reports,
5
(2015),
15380.
More information
-
F.P. Tiwald, F. Karsai, R. Laskowski, S. Gräfe, P. Blaha, J. Burgdörfer, L. Wirtz:
"Ab initio perspective on the Mollwo-Ivey relation for F centers in alkali halides";
Physical Review B,
92
(2015),
144107.
More information
-
F. Tran, P. Blaha, K. Schwarz:
"How Close Are the Slater and Becke-Roussel Potentials in Solids?";
Journal of Chemical Theory and Computation,
11
(2015),
4717
- 4726.
More information
-
H. Ossmer, C. Slouka, L. Andrejs, P. Blaha, G. Friedbacher, J. Fleig:
"Electrocoloration of donor-doped lead zirconate titanate under DC field stress";
Solid State Ionics,
281
(2015),
49
- 59.
More information
-
R. Bliem, J. Pavelec, O. Gamba Vasquez, E. McDermott, Z. Wang, S. Gerhold, M. Wagner, J. Osiecki, K. Schulte, M. Schmid, P. Blaha, U. Diebold, G. Parkinson:
"Adsorption and incorporation of transition metals at the magnetite Fe3O4(001) surface";
Physical Review B,
92
(2015),
075440.
More information
-
R. Laskowski, P. Blaha:
"NMR Shielding in Metals Using the Augmented Plane Wave Method";
Journal of Physical Chemistry C,
119
(2015),
19390
- 19396.
More information
-
L. Lev, J. Krempasky, U. Staub, V. Rogalev, T. Schmitt, M. Shi, P. Blaha, A. Mishchenko, A. Velighzanin, Y. Zubavichus, M. Tsetlin, H. Volfova, J. Braun, J. Minar, V.N. Strocov:
"Fermi Surface of Three-Dimensional La1−xSrxMnO3 Explored by Soft-X-Ray ARPES: Rhombohedral Lattice Distortion and its Effect on Magnetoresistance";
Physical Review Letters,
114
(2015),
237601.
More information
-
F. Tran, P. Blaha, M. Betzinger, S. Blügel:
"Comparison between exact and semilocal exchange potentials: An all-electron study for solids";
Physical Review B,
91
(2015),
165121.
More information
-
R. Laskowski, P. Blaha:
"Understanding of 33S NMR Shielding in Inorganic Sulfides and Sulfates";
Journal of Physical Chemistry C,
119
(2015),
731
- 740.
More information
Contributions to Books
-
K. Schwarz:
"Computation of Materials Properties at the Atomic Scale";
in: "Selected Topics in Applications of Quantum Mechanics",
issued by: Mohammad Reza Pahlavani;
InTech,
2015, (invited),
ISBN: 978-953-51-2126-8,
275
- 310.
Talks and Poster Presentations (with Proceedings-Entry)
-
M. Bichler, L. Felgitsch, V. Seidl-Seiboth, H. Grothe:
"Ice Nucleation Triggered by Biological Substances";
Poster: EGU General Assembly 2015,
Vienna;
04-12-2015
- 04-17-2015; in: "Geophysical Research Abstracts",
ol. 17, EGU2015-1805
(2015).
More information
-
L. Felgitsch, M. Bichler, T. Häusler, V. Weiss, M. Marchetti-Deschmann, G. Allmaier, H. Grothe:
"Molecular Ice Nucleation Activity of Birch Pollen";
Poster: EGU General Assembly 2015,
Vienna;
04-12-2015
- 04-17-2015; in: "Geophysical Research Abstracts",
Vol. 17, EGU2015-1560
(2015).
More information
-
L. Lukashuk, H. Li, N. Yigit, E. McDermott, E. Carlson, K. Föttinger, G. Rupprechter:
"Operando X-ray Absorption Spectroscopy Studies of Co3O4 and CeO2-Co3O4 Catalysts during Preferential CO Oxidation";
Poster: XII EuropaCat "Catalysis: Balancing the use of fossil and renewable resources",
Kazan, Russland;
08-30-2015
- 09-04-2015; in: "EuropaCat XII",
(2015),
389.
-
I. Bespalov, M. Datler, S. Buhr, J. Zeininger, P. Blaha, G. Rupprechter, Y. Suchorski:
"Initial surface oxidation of Zr: XPS, PEEM, FIM, FEM and DFT studies";
Poster: ECOSS-31 31st European Conference on Surface Science,
Barcelona;
08-31-2015
- 09-04-2015; in: "Book of Abstracts",
(2015),
412.
More information
-
I. Bespalov, M. Datler, S. Buhr, J. Zeininger, P. Blaha, G. Rupprechter, Y. Suchorski:
"Bridging Scales in the Surface Oxidation of Zr: XPS, PEEM, FIM, FEM and DFT Studies";
Poster: 7th International Workshop on Surface Physics,
Trzebnica, Poland;
06-21-2015
- 06-25-2015; in: "7th International Workshop on Surface Physics, Program & Abstracts",
(2015),
49.