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  Physical properties of the InPd intermetallic catalyst

Wencka, M., Hahne, M., Kocjan, A., Vrtnik, S., Koželj, P., Korže, D., et al. (2014). Physical properties of the InPd intermetallic catalyst. Intermetallics, 55, 56-65. doi:10.1016/j.intermet.2014.07.007.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-2B3C-B Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-B1B2-3
Genre: Journal Article

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Wencka, M.1, Author
Hahne, M.1, Author
Kocjan, A.1, Author
Vrtnik, S.1, Author
Koželj, P.1, Author
Korže, D.1, Author
Jagličić, Z.1, Author
Sorić, M.1, Author
Popčević, P.1, Author
Ivkov, J.1, Author
Smontara, A.1, Author
Gille, P.1, Author
Jurga, S.1, Author
Tomeš, P.1, Author
Paschen, S.1, Author
Ormeci, A.2, Author              
Armbrüster, M.3, Author              
Grin, Yu.4, Author              
Dolinšek, J.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
3Marc Armbrüster, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863414              
4Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: The intermetallic phase InPd is a candidate material for the use as a catalyst in the methanol steam reforming process. To study the connection between the catalytic properties of the surface and the structural and electronic properties of the bulk, we have grown single crystals of the InPd phase by the Czochralski method and determined their electronic, thermal, magnetic and hydrogen-absorption properties. By growing crystals from a high-temperature solution, we could crystallize a slightly off-stoichiometric In-rich composition In1.04Pd0.96, which contained a significant amount of constitutional defects in the lattice (Pd vacancies on the Pd sublattice) to retain the CsCl-type structure. The strongly inhomogeneously broadened In-115 NMR spectrum and the high residual (T -> 0) electrical resistivity confirmed the presence of constitutional defects. Single crystals of InPd do not absorb hydrogen, as requested for a good hydrogenation catalyst material. Calculated electronic density of states (DOS) shows large contribution of Pd(d) states at the Fermi level. Application of the electron localizability indicator reveals ionic and multi-centre In Pd interactions stabilizing the crystal structure. The electrical and thermal conductivities of InPd show metallic character, whereas the thermoelectric power and the Hall coefficient both show positive sign, revealing that InPd is a predominant hole-type conductor. The calculated electronic DOS at the Fermi energy is in a good agreement with the experimental value determined from the low-temperature specific heat. Magnetic measurements have shown that InPd is a diamagnet. All results are compared to the chemically related intermetallic compound GaPd. The active site-isolation concept for increased catalytic selectivity is discussed in relation to the InPd and GaPd structures. (C) 2014 Elsevier Ltd. All rights reserved.

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 Dates: 2014-11-07
 Publication Status: Published in print
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Title: Intermetallics
  Other : Intermetallics
Source Genre: Journal
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Publ. Info: Barking, Essex, England : Elsevier
Pages: - Volume / Issue: 55 Sequence Number: - Start / End Page: 56 - 65 Identifier: ISSN: 0966-9795
CoNE: /journals/resource/954925582175