Tuning the Reactivity of a Cu/ZnO Nanocatalyst via Gas Phase Pressure

Martinez-Suarez L, Frenzel J, Marx D, Meyer B (2013)

Publication Type: Journal article

Publication year: 2013

Journal

Physical Review Letters American Physical Society

Book Volume: 110

Article Number: 086108

Journal Issue: 8

DOI: 10.1103/PhysRevLett.110.086108

Abstract

By calculation of a thermodynamic phase diagram we provide an atomistic understanding of the morphological changes in ZnO-supported Cu nanocatalysts, which are subject to strong metal-support interactions, in response to the redox properties of the surrounding gas phase, i.e., depending on temperature and pressure. The reactivity, and thus the strong metal-support interactions, of this catalyst is traced back to a redox-state dependent occupation of delocalized ZnO substrate bands and localized Cu cluster states at the Fermi level. It is shown that at the conditions of industrial methanol synthesis complex electronic charge transfer processes across the metal-support interface, driven by morphological and electronic changes, explain the enhanced catalytic reactivity toward CO2.

Authors with CRIS profile

Bernd Meyer Professur für Computational Chemistry

Additional Organisation(s)

Exzellenz-Cluster Engineering of Advanced Materials

Involved external institutions

Ruhr-Universität Bochum (RUB) DE Germany (DE)

How to cite

APA:

Martinez-Suarez, L., Frenzel, J., Marx, D., & Meyer, B. (2013). Tuning the Reactivity of a Cu/ZnO Nanocatalyst via Gas Phase Pressure. Physical Review Letters, 110(8). https://dx.doi.org/10.1103/PhysRevLett.110.086108

MLA:

Martinez-Suarez, Luis, et al. "Tuning the Reactivity of a Cu/ZnO Nanocatalyst via Gas Phase Pressure." Physical Review Letters 110.8 (2013).

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