2014
DOI: 10.1021/jp5048437
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Oxygen Nonstoichiometry in (Ca2CoO3)0.62(CoO2): A Combined Experimental and Computational Study

Abstract: The oxygen nonstoichiometry in the misfit calcium cobaltite (Ca 2 CoO 3 ) 0.62 (CoO 2 ) has been studied experimentally and by density functional theory (DFT) calculations. The standard oxidation enthalpy ΔH 0 Ox of oxygen deficient (Ca 2 CoO 3 ) 0.62 (CoO 2 ) was measured directly using simultaneous thermogravimetry and differential scanning calorimetry. ΔH 0 Ox was found to be in agreement with the prediction from a previously published defect chemical model based on purely thermogravimetrical analysis. A se… Show more

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Cited by 27 publications
(19 citation statements)
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“…Similarly, we propose direct p-n junctions between oxide thermoelectric materials to develop high-temperature TEGs without the use of metallic interconnects. Cobalt-based oxide thermoelectric materials exhibit the best p-type properties comprising, for example, the misfit layered oxide Ca 3 Co 3.92 O 9-δ (CCO) 4,5 . Among the few n-type oxide-based thermoelectric materials we find the perovskite-structured CaMnO 3-δ (CM) 6 .…”
Section: Introductionmentioning
confidence: 99%
“…Similarly, we propose direct p-n junctions between oxide thermoelectric materials to develop high-temperature TEGs without the use of metallic interconnects. Cobalt-based oxide thermoelectric materials exhibit the best p-type properties comprising, for example, the misfit layered oxide Ca 3 Co 3.92 O 9-δ (CCO) 4,5 . Among the few n-type oxide-based thermoelectric materials we find the perovskite-structured CaMnO 3-δ (CM) 6 .…”
Section: Introductionmentioning
confidence: 99%
“…This result indicates that the carrier mobility within the COL is indeed relatively independent of the interlayer strain between the RSL and COL, which is known to change systematically with the oxygen vacancy concentration. 37 Thereby, our simple discussion of different doping studies is justified.…”
Section: Resultsmentioning
confidence: 98%
“…3). Oxygen vacancies are formed mainly on oxygen sites within the RSL, 8,37 while charge transport is assumed to occur within the COL. Hence, charge carriers within the COL are not scattered efficiently by the oxygen defects, leaving the mobility effectively unchanged upon oxygen vacancy formation, as observed experimentally.…”
Section: Resultsmentioning
confidence: 99%
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“…The observed differences in S among the samples could be attributed to the complex influences of their microstructural features, including density, grain morphology, grain size and connectivity, the nature of the grain boundaries and also the mechanical stress in the grains, which can all affect the carrier concentration and their mobility [32,54e56]. However, the influence of the oxygen stoichiometry of the Ca 3 Co 4 O 9þd compound, which is sensitive to the preparation conditions, and is known to affect the electrical conductivity and the Seebeck coefficient, could also not be excluded [57,58].…”
Section: And Co 3 O 4 (Or) After Calcination Atmentioning
confidence: 99%