{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,10]],"date-time":"2026-09-10T13:57:49Z","timestamp":1789048669852,"version":"build-2803163510"},"reference-count":198,"publisher":"MDPI AG","issue":"21","license":[{"start":{"date-parts":[[2021,10,27]],"date-time":"2021-10-27T00:00:00Z","timestamp":1635292800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Rare earth metal oxides (REMOs) have gained considerable attention in recent years owing to their distinctive properties and potential applications in electronic devices and catalysts. Particularly, cerium dioxide (CeO2), also known as ceria, has emerged as an interesting material in a wide variety of industrial, technological, and medical applications. Ceria can be synthesized with various morphologies, including rods, cubes, wires, tubes, and spheres. This comprehensive review offers valuable perceptions into the crystal structure, fundamental properties, and reaction mechanisms that govern the well-established surface-assisted reactions over ceria. The activity, selectivity, and stability of ceria, either as a stand-alone catalyst or as supports for other metals, are frequently ascribed to its strong interactions with the adsorbates and its facile redox cycle. Doping of ceria with transition metals is a common strategy to modify the characteristics and to fine-tune its reactive properties. DFT-derived chemical mechanisms are surveyed and presented in light of pertinent experimental findings. Finally, the effect of surface termination on catalysis by ceria is also highlighted.<\/jats:p>","DOI":"10.3390\/molecules26216485","type":"journal-article","created":{"date-parts":[[2021,10,27]],"date-time":"2021-10-27T23:24:42Z","timestamp":1635377082000},"page":"6485","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":34,"title":["An Insight into Geometries and Catalytic Applications of CeO2 from a DFT Outlook"],"prefix":"10.3390","volume":"26","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5907-3074","authenticated-orcid":false,"given":"Hussein A.","family":"Miran","sequence":"first","affiliation":[{"name":"Department of Physics, College of Education for Pure Science, Ibn Al-Haitham, University of Baghdad, Baghdad 10071, Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zainab N.","family":"Jaf","sequence":"additional","affiliation":[{"name":"Department of Physics, College of Education for Pure Science, Ibn Al-Haitham, University of Baghdad, Baghdad 10071, Iraq"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2832-3886","authenticated-orcid":false,"given":"Mohammednoor","family":"Altarawneh","sequence":"additional","affiliation":[{"name":"Department of Chemical and Petroleum Engineering, United Arab Emirates University, Sheikh Khalifa Bin Zayed Street, Al-Ain 15551, United Arab Emirates"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhong-Tao","family":"Jiang","sequence":"additional","affiliation":[{"name":"Surface Analysis and Materials Engineering Research Group, College of Science, Health, Engineering and Education, Murdoch University, Murdoch, WA 6150, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2021,10,27]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1285","DOI":"10.1016\/j.gsf.2018.12.005","article-title":"Rare earth elements: A review of applications, occurrence, exploration, analysis, recycling, and environmental impact","volume":"10","author":"Balaram","year":"2019","journal-title":"Geosci. 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