Microscopic models of PdZn alloy catalysts: Structure and reactivity in methanol decomposition

Neyman K, Lim KH, Chen ZX, Moskaleva LV, Bayer A, Reindl A, Borgmann D, Denecke R, Steinrück HP, Rösch N (2007)

Publication Type: Journal article, Review article

Publication year: 2007

Journal

Physical Chemistry Chemical Physics Royal Society of Chemistry

Original Authors: Neyman K.M., Lim K.H., Chen Z.-X., Moskaleva L.V., Bayer A., Reindl A., Borgmann D., Denecke R., Steinrück H.-P., Rosch N.

Publisher: Royal Society of Chemistry

Book Volume: 9

Pages Range: 3470-3482

Journal Issue: 27

DOI: 10.1039/b700548b

Abstract

We review systematic experimental and theoretical efforts that explored formation, structure and reactivity of PdZn catalysts for methanol steam reforming, a material recently proposed to be superior to the industrially used Cu based catalysts. Experimentally, ordered surface alloys with a Pd: Zn ratio of ∼1: 1 were prepared by deposition of thin Zn layers on a Pd(111) surface and characterized by photoelectron spectroscopy and low-energy electron diffraction. The valence band spectrum of the PdZn alloy resembles closely the spectrum of Cu(111), in good agreement with the calculated density of states for a PdZn alloy of 1: 1 stoichiometry. Among the issues studied with the help of density functional calculations are surface structure and stability of PdZn alloys and effects of Zn segregation in them, and the nature of the most likely water-related surface species present under the conditions of methanol steam reforming. Furthermore, a series of elementary reactions starting with the decomposition of methoxide, CH O, along both C-H and C-O bond scission channels, on various surfaces of the 1: 1 PdZn alloy [planar (111), (100) and stepped (221)] were quantified in detail thermodynamically and kinetically in comparison with the corresponding reactions on the surfaces Pd(111) and Cu(111). The overall surface reactivity of PdZn alloy was found to be similar to that of metallic Cu. Reactive methanol adsorption was also investigated by in situ X-ray photoelectron spectroscopy for pressures between 3 × 10 and 0.3 mbar. © the Owner Societies.

Authors with CRIS profile

Andreas Bayer Lehrstuhl für Physikalische Chemie II Hans-Peter Steinrück Lehrstuhl für Physikalische Chemie II

Involved external institutions

Technische Universität München (TUM) DE Germany (DE) Institució Catalana de Recerca i Estudis Avançats (ICREA) / Catalan Institution for Research and Advanced Studies ES Spain (ES)

How to cite

APA:

Neyman, K., Lim, K.H., Chen, Z.-X., Moskaleva, L.V., Bayer, A., Reindl, A.,... Rösch, N. (2007). Microscopic models of PdZn alloy catalysts: Structure and reactivity in methanol decomposition. Physical Chemistry Chemical Physics, 9(27), 3470-3482. https://doi.org/10.1039/b700548b

MLA:

Neyman, Konstantin, et al. "Microscopic models of PdZn alloy catalysts: Structure and reactivity in methanol decomposition." Physical Chemistry Chemical Physics 9.27 (2007): 3470-3482.

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