Sulfidation and Sulfur Recovery from SO2 over Ceria
2014 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 118, no 31, 17499-17504 p.Article in journal (Refereed) Published
Sulfidation, sulfation and sulfur recovery of ceria(111) and ceria(110) surfaces are studied usingDensity Functional Theory(DFT) calculations. Under reducing atmosphere SO2 adsorption leadsto stable surface sulfate species on the (110) surface and sulfides on the (111) surface. A mechanismfor sulfur recovery from SO2 is also presented. In this mechanism SO2 reacts with a surface sulfideto form a thio-sulfite species. This thio-sulfite species is subsequently reduced by an oxygen vacancyto form a monodentate S2O− structure. This structure can then be desorbed as S2 (g).
Place, publisher, year, edition, pages
2014. Vol. 118, no 31, 17499-17504 p.
IdentifiersURN: urn:nbn:se:uu:diva-168001DOI: 10.1021/jp4094673ISI: 000340222300036OAI: oai:DiVA.org:uu-168001DiVA: diva2:489805