Catalytic properties of Al13Co4 studied by ab initio methods-Reference-Cited by-同舟云学术

Catalytic properties of Al13Co4 studied by ab initio methods

Published:2010-09-30 Issue:19-21 Volume:91 Page:2904-2912
ISSN:1478-6435
Container-title:Philosophical Magazine
language:en
Short-container-title:Philosophical Magazine

Author:

Krajčí M.¹²,Hafner J.²

Affiliation:

1. a Institute of Physics, Slovak Academy of Sciences , Dúbravská cesta 9, SK-84511 Bratislava , Slovak Republic

2. b Fakultät für Physik and Center for Computational Materials Science , Universität Wien , Sensengasse 8/12, A-1090 Wien , Austria

Publisher

Informa UK Limited

Subject

Condensed Matter Physics

Link

https://www.tandfonline.com/doi/pdf/10.1080/14786435.2010.514578

Reference12 articles.

1. M. Armbrüster, K. Kovnir, J. Grin, R. Schlögl, P. Gille, M. Heggen, M. Feuerbacher. Ordered cobalt-aluminium and iron–aluminium intermetallic compounds as hydrogenation catalysts. European patent application No. 09157875.7, 2009.

2. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

3. From ultrasoft pseudopotentials to the projector augmented-wave method

4. Accurate and simple analytic representation of the electron-gas correlation energy

5. A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

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