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Journal of Electrical & Electronic Systems

Journal of Electrical & Electronic Systems

ISSN: 2332-0796

Open Access

Catalysis-Open-Access-Journals

Ceria has attracted considerable interest in the high-temperature electrocatalytic water splitting reaction (WSR) in solid oxide electrolysis cells (SOECs) due to the large active surface area enabled by its accessibility to ions, electrons and gas molecules. The mechanism of the WSR on the (1 1 1) facet of ceria has been studied extensively and hydroxyl decomposition is widely reported as the rate-determining step. However, WSR on other most-often exposed low-index surfaces like CeO2(1 1 0) and CeO2(1 0 0) remains unclear, especially the effect of high temperature on the formation of hydroxyls with different hydrogen coverage (Ï´H) and reaction pathways. After identifying stable electron localization on cerium by using density functional theory corrected for on-site Coulomb interactions (DFT + U), we found that the formation of reaction intermediates such as oxygen vacancies, hydroxyls and vacancy-hydroxyl mixed phases on CeO2(1 0 0) is much more stable than that on CeO2(1 1 0) and CeO2(1 1 1).

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