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

Journal article


Publication Details

Author(s): Martinez-Suarez L, Frenzel J, Marx D, Meyer B
Journal: Physical Review Letters
Publication year: 2013
Volume: 110
Journal issue: 8
ISSN: 0031-9007


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.


FAU Authors / FAU Editors

Meyer, Bernd Prof. Dr.
Professur für Computational Chemistry


Additional Organisation
Exzellenz-Cluster Engineering of Advanced Materials


External institutions with authors

Ruhr-Universität Bochum (RUB)


Research Fields

A3 Multiscale Modeling and Simulation
Exzellenz-Cluster Engineering of Advanced Materials


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).

BibTeX: 

Last updated on 2019-21-03 at 13:23