Ni diffusion in ceria lattice: A combined experimental and theoretical study

Lim, Dae‐Kwang; Kwak, No Woo; Kim, Jisu; Kim, Hyunseung; Kim, Byung-Kook; Kim, Yeong-Cheol; Jung, WooChul

doi:10.1016/j.actamat.2021.117252

Cited by 9 publications

(4 citation statements)

References 63 publications

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“…It can be seen that the La x Pr 1‐x NiO 3 and La x Nd 1‐x NiO 3 nickelates maintain the distorted perovskite structure, while their lattice constants and the unit cell volume are gradually enlarged with an increase of the substitution concentration of La. This is in contrast to the behavior of Ce x Nd 1‐x NiO 3 , where a considerable amount of CeO 2 was formed in parallel with the perovskite phase, and, as a result, the increase in lattice constants via Ce substitution is limited 31 . And from their Rietveld refinements results, 8.26% and 15.46% Ce 2 O impurity in Ce 0.1 Nd 0.9 NiO 3 and Ce 0.2 Nd 0.8 NiO 3 is observed respectively.…”

Section: Resultsmentioning

confidence: 89%

“…This is in contrast to the behavior of Ce x Nd 1-x NiO 3 , where a considerable amount of CeO 2 was formed in parallel with the perovskite phase, and, as a result, the increase in lattice constants via Ce substitution is limited. 31 And from their Rietveld refinements results, 8.26% and 15.46% Ce 2 O impurity in Ce 0.1 Nd 0.9 NiO 3 and Ce 0.2 Nd 0.8 NiO 3 is observed respectively. The above results clearly indicate that La can effectively co-occupy the rare-earth site together with Nd or Pr that enlarges the lattice constant, while Ce is in preference to form CeO 2 with +4 valance state of Ce.…”

Section: Resultsmentioning

confidence: 93%

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Extending the metal to insulator transitions of rare‐earth nickelates towards low temperature ranges

Zhong

Zheng

et al. 2023

J Am Ceram Soc.

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Although the d‐band correlated rare‐earth nickelates (ReNiO3) exhibit broadly adjustable metal to insulator transitions (MIT) that enables emerging correlated electronic applications, it is yet difficult to regulate their associated critical temperature (TMIT) below 100 K. Herein, we extend the lower limit in TMIT of ReNiO3 down to 83 K while maintaining an abrupt switch in resistivity via partial La‐substitution of PrNiO3. The near edge X‐ray fine structure analysis and density function theory calculations indicate the strengthening in the metallic orbital configuration and reduction in the ground state band gap via La‐substitution of Re in NdNiO3 and PrNiO3. In contrast, analogous Ce substitution cannot reduce the TMIT of ReNiO3 owing to its valance variability toward +4, while La partial substitution of ReNiO3 with middle or heavy rare‐earth (e.g., Sm) easily disturb the co‐occupation of the Re‐site by the two rare‐earths as one dispersive phase.

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Section: Resultsmentioning

confidence: 89%

Section: Resultsmentioning

confidence: 93%

Extending the metal to insulator transitions of rare‐earth nickelates towards low temperature ranges

Zhong

Zheng

et al. 2023

J Am Ceram Soc.

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“…The slight variation of the lattice parameters may imply the occurrence of interaction between the two phases in the NiO-30GDC. For instance, the solubility of certain Ni 2+ cations in GDC [28,29] can result in the shrinkage of the GDC lattice. Nevertheless, these results indicate the NiO-GDC composites with separated NiO and GDC phases are obtained; this scenario is different from the previous studies, where the solid solution remained intact without phase separation in Ni-doped CeO 2 and GDC with a low Ni amount.…”

Section: Resultsmentioning

confidence: 99%

Facile Construction of Nanostructured Cermet Anodes with Strong Metal–Oxide Interaction for Efficient and Durable Solid Oxide Fuel Cells

Wang

Yue

Chen

et al. 2023

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Nanostructured anodes generate massive reaction sites to oxidize fuels in solid oxide fuel cells (SOFCs); however, the nonexistence of a practically viable approach for the construction of nanostructures and the retention of these nanostructures under the harsh operating conditions of SOFCs poses a significant challenge. Herein, a simple procedure is reported for the construction of a nanostructured Ni–Gd‐doped CeO2 anode based on the direct assembly of pre‐formed nanocomposite powder with strong metal–oxide interaction. The directly assembled anode forms heterointerfaces with the electrolyte owing to the electrochemical polarization current and exhibits excellent structural robustness against thermal ripening. An electrolyte‐supported cell with the directly assembled anode produces a peak power density of 0.73 W cm−2 at 800 °C, while maintaining stability for 100 h, which is in contrast to the drastic degradation of the cermet anode prepared using the conventional method. These findings provide clarity on the design and construction of durable nanostructured anodes and other electrodes for SOFCs.

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“…decrease of α). [33] After reduction treatment the α parameter increases slightly to 5.418 Å which can be attributed to lattice expansion expected when Ce 4 + cations are reduced to bigger ionic radius Ce 3 + .…”

Section: Textural and Physicochemical Characterization Of Niceo Xmentioning

confidence: 90%

Ionic Nickel Embedded in Ceria with High Specific CO₂ Methanation Activity

Barreau

Saluso

et al. 2023

Angewandte Chemie

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CO 2 hydrogenation to methane is gaining increasing interest as one of the most promising ways to store intermittent renewable energy in the form of chemical fuels. Ni particles supported on CeO 2 represent a highly efficient, stable and inexpensive catalyst for this reaction. Herein, Ni-doped CeO 2 nanoparticles were tested for CO 2 methanation showing an extremely high Ni mass-specific activity and CH 4 selectivity. Operando characterization reveals that this performance is tightly associated with ionic Νi and Ce 3 + surface sites, while formation of metallic Ni does not seem to considerably promote the reaction. Theoretical calculations confirmed the stability of interstitial ionic Ni sites on ceria surfaces and highlighted the role of Ce-O frustrated Lewis pair (FLP), Ni-O classical Lewis pair (CLP) and Ni-Ce pair sites to the activation of H 2 and CO 2 molecules. To a large extent, the theoretical predictions were validated by in situ spectroscopy under H 2 and CO 2 : H 2 gaseous environments.

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Ni diffusion in ceria lattice: A combined experimental and theoretical study

Cited by 9 publications

References 63 publications

Extending the metal to insulator transitions of rare‐earth nickelates towards low temperature ranges

Extending the metal to insulator transitions of rare‐earth nickelates towards low temperature ranges

Facile Construction of Nanostructured Cermet Anodes with Strong Metal–Oxide Interaction for Efficient and Durable Solid Oxide Fuel Cells

Ionic Nickel Embedded in Ceria with High Specific CO₂ Methanation Activity

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Ni diffusion in ceria lattice: A combined experimental and theoretical study

Cited by 9 publications

References 63 publications

Extending the metal to insulator transitions of rare‐earth nickelates towards low temperature ranges

Extending the metal to insulator transitions of rare‐earth nickelates towards low temperature ranges

Facile Construction of Nanostructured Cermet Anodes with Strong Metal–Oxide Interaction for Efficient and Durable Solid Oxide Fuel Cells

Ionic Nickel Embedded in Ceria with High Specific CO2 Methanation Activity

Contact Info

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Resources

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Ionic Nickel Embedded in Ceria with High Specific CO₂ Methanation Activity