Transport and defect mechanisms in cuprous delafossites. 2. CuScO 2 and CuYO2

Brian J. Ingram; Bryan J. Harder; Nikolas W. Hrabe; Thomas O. Mason; Kenneth R. Poeppelmeier

doi:10.1021/cm048982k

Transport and defect mechanisms in cuprous delafossites. 2. CuScO ₂ and CuYO₂

Brian J. Ingram, Bryan J. Harder, Nikolas W. Hrabe, Thomas O. Mason^*, Kenneth R. Poeppelmeier

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

103 Scopus citations

Abstract

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 CuYO ₂ 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.

Original language	English (US)
Pages (from-to)	5623-5629
Number of pages	7
Journal	Chemistry of Materials
Volume	16
Issue number	26
DOIs	https://doi.org/10.1021/cm048982k
State	Published - Dec 28 2004

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Materials Chemistry

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title = "Transport and defect mechanisms in cuprous delafossites. 2. CuScO 2 and CuYO2",

abstract = "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 CuYO 2 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.",

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AU - Ingram, Brian J.

AU - Harder, Bryan J.

AU - Hrabe, Nikolas W.

AU - Mason, Thomas O.

AU - Poeppelmeier, Kenneth R.

PY - 2004/12/28

Y1 - 2004/12/28

N2 - 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 CuYO 2 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.

AB - 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 CuYO 2 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.

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Transport and defect mechanisms in cuprous delafossites. 2. CuScO ₂ and CuYO₂

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