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  On the twinning in ZnPd

Ivarsson, D. C. A., Burkhardt, U., Heggen, M., Ormeci, A., & Armbrüster, M. (2017). On the twinning in ZnPd. Physical Chemistry Chemical Physics, 19(8), 5778-5785. doi:10.1039/c6cp08117g.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-2161-0 Version Permalink: http://hdl.handle.net/21.11116/0000-0002-6816-1
Genre: Journal Article

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 Creators:
Ivarsson, Dennis C. A.1, Author              
Burkhardt, Ulrich2, Author              
Heggen, Marc1, Author
Ormeci, Alim3, Author              
Armbrüster, Marc1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
3Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              

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 Abstract: The intermetallic compound ZnPd has demonstrated excellent catalytic properties in methanol steam reforming. While it is known that defects and microstructures influence the catalytic properties, little is known about the defects occurring in ZnPd. Due to recent advances in synthetic methods, coarse-grained ZnPd samples are accessible. This enables the detection and investigation of twinning in ZnPd by studying the twinned regions from the macroscopic scale by polarised light and electron backscattering diffraction (EBSD) down to the atomic scale by high-resolution transmission electron microscopy (HR-TEM). Twinning occurs in {101} and is coupled with a change in the c/a ratio in the vicinity of the twin boundary. Quantum chemical calculations result in only very small energy differences between the ideal and the twinned structure, explaining the experimentally observed thermal stability of the latter. The chemical bonding was investigated by the electron localizability indicator (ELI) and compared to the one in the ideal structure. The results confirm twinning along the {101} plane and demonstrate the high stability of the twin boundaries after formation.

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Language(s): eng - English
 Dates: 2017-01-132017-01-13
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000395869500011
DOI: 10.1039/c6cp08117g
 Degree: -

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Title: Physical Chemistry Chemical Physics
  Abbreviation : Phys. Chem. Chem. Phys.
Source Genre: Journal
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Publ. Info: Cambridge, England : Royal Society of Chemistry
Pages: - Volume / Issue: 19 (8) Sequence Number: - Start / End Page: 5778 - 5785 Identifier: ISSN: 1463-9076
CoNE: /journals/resource/954925272413_1