The delafossite structure (ABO2) accommodates a wide range of transition and rare-earth cations on the B-site in combination with a short list of A-site cations. This paper reports the effects on defect chemistry and transport as a function of the B-site cation in copper-based delafossite materials, with CuScO2 and CuYO2 as examples. Large B-site cation delafossites exhibit small polaron conduction, a diffusion-limited conduction mechanism, with an activation energy approximately twice that of CuAlO2 (0.22 eV vs 0.14 eV, respectively). The mobility for these materials is found to be <1 cm2 V-1 s-1, further evidence of small polaron conduction. The majority defect species is highly dependent on the B-site cation, such that CuScO2 and CuYO2 are dominated by extrinsic defects (acceptor doping) and free oxygen interstitials, whereas off-stoichiometry dominates CuAlO2. Dopant solubility is shown to be 1% for bulk CuScO2 samples and lower in CuYO2.

Transport and Defect Mechanisms in Cuprous Delafossites. 2. CuScO2 and CuYO2

Oxygen intercalation of two polymorphs of CuScO2

We had first synthesized hexagonal 2H-CuCrO2 nanocrystals by hydrothermal method. The stability diagram for Cu–Cr–Na–H2O system allows preparing of nanocrystalline CuCrO2, either 2H or 3R pure phase, by a single step, low-temperature hydrothermal synthesis. 2H- and 3R-CuCrO2 quasi-hexagonal shape nanocrystals have shown a wide range of size distribution varying from about 20 to 40 nm. An unexpected result is that 2H-CuCrO2 phase was a low temperature phase in the hydrothermal synthesis. Also, a formation mechanism for the synthesis of CuCrO2 nanocrystal, 2H- and 3R-polytypes was proposed.

Hexagonal polytype of CuCrO 2 nanocrystals obtained by hydrothermal method

Structure of LaCuO2.66: an oxidized delafossite compound containing hole-doped kagome planes of Cu2+ cations

First-principles calculations and Boltzmann transport theory are used to analyze the thermopower and related properties of p-type delafossite structure YCuO{sub 2}. We find that the electrical transport properties are only mildly anisotropic in spite of the layered crystal structure and that this compound has high thermopowers indicative of a material that may be a good thermoelectric.

Band structure and thermopower of doped YCuO2

The Fine Structure of YCuO

The Fine Structure of YCuO2+x Delafossite Determined by Synchrotron Powder Diffraction and Electron Microscopy

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The Fine Structure of YCuO

The Fine Structure of YCuO2+x Delafossite Determined by Synchrotron Powder Diffraction and Electron Microscopy