Investigation on the state of copper in copper-zinc oxide biphasic catalyst by EPR and adsorption microcalorimetry

Giamello, Elio; Fubini, Bice; Lauro, Peter

doi:10.1016/s0166-9834(00)81334-2

Cited by 31 publications

(31 citation statements)

References 28 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For O, the stable adsorption position is the fcc site. The calculated adsorption energy is 4.43 eV, close to the experiment [45] and theoretical results [43,44]. For N 2 , it prefers to adsorb on the top site with the adsorption energy of 0.14 eV.…”

Section: Configurationssupporting

confidence: 83%

Mechanism of ammonia decomposition on clean and oxygen-covered Cu (1 1 1) surface: A DFT study

2014

View full text Add to dashboard Cite

Section: Configurationssupporting

confidence: 83%

Mechanism of ammonia decomposition on clean and oxygen-covered Cu (1 1 1) surface: A DFT study

2014

View full text Add to dashboard Cite

“…As a variation, Cu + -CuO couples have also been proposed as the active centers [78,256]. Cu + has been identified on binary Cu/ZnO by XPS [63], by visible and far-IR spectroscopy [257,258], by adsorption studies [80,258] and by IR spectra of adsorbed CO [259]. On a ternary Cu/Zn/Al catalyst, Cu + has only been observed by XPS [244] on not fully reduced samples and by IR spectra from adsorbed CO [260,261] at low temperature (<413 K) and high CO 2 :H 2 ratios.…”

Section: Reaction Mechanism(s) and Active Sitesmentioning

confidence: 99%

Methanol Synthesis

Hansen¹,

Nielsen²

2008

Handbook of Heterogeneous Catalysis

133

View full text Add to dashboard Cite

The sections in this article are Introduction Thermodynamics Methanol Synthesis Catalysts Introduction Zn O / Cr 2 O 3 Catalyst Copper‐Based Catalysts Cu / Zn O + Element ( Al , Cr , … ) Promotion of Cu / Zn O / MOx Catalysts Cu / Zr O 2 Other Cu , Cu / Me , Cu / Me Ox Catalysts Pd ‐Based Catalysts Sulfide Catalysts Other Catalysts Activation of Cu / Zn Catalyst Activity as a Function of the Nature of Copper‐Based Catalysts Catalyst Deactivation Sintering Sulfur Poisoning Other Poisons By‐Product Formation Reaction Mechanism(s) and Active Sites Cu + in a Zn O Matrix as the Active Center The S chottky Junction Theory Partly Oxidized Copper Independent of Support as Active Sites Metallic Copper in Dynamic Interaction with the Support Cu –Zinc Surface Alloy Model Water Gas Shift Reaction Kinetics Reaction Rate Equations Diffusion Restrictions Kinetics in Slurry Phase Methanol Synthesis Methanol Synthesis Technology Synthesis Gas Preparation Natural Gas Reforming Adiabatic Pre‐Reforming Tubular, Fired Reforming Autothermal Reforming and Oxygen‐Fired Secondary Reforming Gasification of Heavy Oil, Coal or Biomass Coproduction in Ammonia Plants and Use of Off‐gases Economics of Synthesis Gas Preparation Reactor Systems and Synthesis Loop Layout Slurry Phase Reactor Types Methanol Purification Concepts Circumventing the Equilibrium Limitations Other Methanol Synthesis Routes and Technologies Methanol Synthesis by Methane Activation Conclusion

show abstract

“…That is why their local structure features are worth being further investigated. For example, the EPR experiments were carried out for the calcined catalysts CuO-ZnO, and the spin Hamiltonian parameters (the anisotropic g factors g and g ⊥ and the hyperfine structure constants A and A ⊥ ) were also measured for the two signals A1 and A2 [12]. The signals A1 and A2 are attributable to isolated Cu 2+ ions automically dispersed in the lattice of ZnO and located in tetragonally distorted octahedral cavities [12].…”

Section: Introductionmentioning

confidence: 99%

Theoretical studies of the spin Hamiltonian parameters for the two tetragonal Cu^{2+} centers in the calcined catalysts CuO-ZnO

Zhang¹,

Wu²,

Zhang³

2011

Condens. Matter Phys.

View full text Add to dashboard Cite

The spin Hamiltonian parameters for the two Cu 2+ centers A1 and A2 in the calcined catalysts CuO-ZnO are theoretically investigated using the high order perturbation formulas of these parameters for a 3d 9 ion in tetragonally elongated octahedra. In the above formulas, the tetragonal field parameters Ds and Dt are determined from the superposition model, by considering the relative axial elongation of the oxygen octahedron around the Cu 2+ due to the Jahn-Teller effect. Based on the calculations, the relative elongation ratios of about 5% and 3% are obtained for the tetragonal Cu 2+ centers A1 and A2, respectively. The theoretical spin Hamiltonian parameters are in good agreement with the observed values for both systems. The larger axial elongation in center A1 is ascribed to the more significant low symmetrical (tetragonal) distortion of the Jahn-Teller effect. The local structures characterized by the above axial elongations are discussed.

show abstract

Investigation on the state of copper in copper-zinc oxide biphasic catalyst by EPR and adsorption microcalorimetry

Cited by 31 publications

References 28 publications

Mechanism of ammonia decomposition on clean and oxygen-covered Cu (1 1 1) surface: A DFT study

Mechanism of ammonia decomposition on clean and oxygen-covered Cu (1 1 1) surface: A DFT study

Methanol Synthesis

Theoretical studies of the spin Hamiltonian parameters for the two tetragonal Cu^{2+} centers in the calcined catalysts CuO-ZnO

Contact Info

Product

Resources

About