Catalytic properties of Al₁₃Co₄ studied by ab initio methods

References

• M. Armbrüster, Yu. Grin and R. Schlögl, Intermetallic compounds in catalysis, First International Conference on Complex Metallic Alloys and their Complexity, Nancy, France, October 4–7, 2009, paper I11.
   Google Scholar
• 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.
   Google Scholar
• Kresse , G and Furthmüller , J . 1996 . Phys. Rev. B , 54 : 11169
   PubMed Web of Science ®Google Scholar
• Kresse , G and Joubert , D . 1999 . Phys. Rev. B , 59 : 1758
   Web of Science ®Google Scholar
• Perdew , JP and Wang , Y . 1992 . Phys. Rev. B , 45 : 13244
   PubMed Web of Science ®Google Scholar
• Henkelman , G and Jónsson , H . 1999 . J. Chem. Phys. , 111 : 7010
   Web of Science ®Google Scholar
• Dolinšek , J , Komelj , M , Jeglič , P , Vrtnik , S , Stanic , D , Popčevic , P , Ivkov , J , Smontara , A , Jagličic , Z , Gille , P and Grin , Yu . 2009 . Phys. Rev. B , 79 : 184201
   Web of Science ®Google Scholar
• Grin , Yu , Burkhardt , U , Ellner , M and Peters , K . 1994 . J. Alloys Compd. , 206 : 243
   Web of Science ®Google Scholar
• Yu. Grin, B. Bauer, H. Borrmann, U. Burkhardt, R. Cardoso-Gil, J. Dolinšek, M. Feuerbacher, P. Gille, F. Haarmann, M. Hegen, P. Jeglič, M. Müuller, S. Paschen, W. Schnelle and S. Vrtnik, o-Co4Al13, a low-scale prototype of complex metallic alloys. EUROMAT 2007: European Congress on Advanced Materials and Processes, Nürnberg, Germany, 2007, Book of Abstracts, p.30.
   Google Scholar
• Mihalkovič , M and Widom , M . 2007 . Phys. Rev. B , 75 : 014207
   Web of Science ®Google Scholar
• Addou , R , Gaudry , E , Deniozou , Th , Heggen , M , Feuerbacher , M , Gille , P , Grin , Yu , Widmer , R , Gröning , O , Fournée , V , Dubois , J-M and Ledieu , J . 2009 . Phys. Rev. B , 80 : 014203
   Web of Science ®Google Scholar
• Henley , CL . 1993 . J. Non-Cryst. Solids , 153–154 : 172
   Web of Science ®Google Scholar
• Krajčí , M and Hafner , J . 2008 . Phys. Rev. B. , 78 : 224207
   Web of Science ®Google Scholar
• Seth , PA , Neurock , M and Smith , CM . 2003 . J. Phys. Chem. B , 107 : 2009
   Web of Science ®Google Scholar