Structure—property correlations copper oxides

Structure—Property Correlations in Superconducting Copper Oxides... 

The preparation of well-defined single-crystal surfaces of copper oxides in UHV or of well-sintered powders, starting from polycrystalline materials, is difficult. Consequently, structure-catalytic property correlations remain to be established. 

Another contribution to variations of intrinsic activity is the different number of defects and amount of disorder in the metallic Cu phase. This disorder can manifest itself in the form of lattice strain detectable, for example, by line profile analysis of X-ray diffraction (XRD) peaks [73], 63Cu nuclear magnetic resonance lines [74], or as an increased disorder parameter (Debye-Waller factor) derived from extended X-ray absorption fine structure spectroscopy [75], Strained copper has been shown theoretically [76] and experimentally [77] to have different adsorptive properties compared to unstrained surfaces. Strain (i.e. local variation in the lattice parameter) is known to shift the center of the d-band and alter the interactions of metal surface and absorbate [78]. The origin of strain and defects in Cu/ZnO is probably related to the crystallization of kinetically trapped nonideal Cu in close interfacial contact to the oxide during catalyst activation at mild conditions. A correlation of the concentration of planar defects in the Cu particles with the catalytic activity in methanol synthesis was observed in a series of industrial Cu/Zn0/Al203 catalysts by Kasatkin et al. [57]. Planar defects like stacking faults and twin boundaries can also be observed by HRTEM and are marked with arrows in Figure 5.3.8C [58],... 

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