Sulfidation and Sulfur Recovery from SO2 over Ceria

详细信息    查看全文

• 作者：Jolla Kullgren ; Zhansheng Lu ; Zongxian Yang ; Kersti Hermansson
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：August 7, 2014
• 年：2014
• 卷：118
• 期：31
• 页码：17499-17504
• 全文大小：341K
• ISSN：1932-7455

文摘

Sulfidation and sulfation of ceria(111) and ceria(110) surfaces are studied with the help of density functional theory (DFT) calculations (PBE+U). Under reducing atmosphere, SO₂ adsorption leads to the formation of stable surface sulfate species on the (110) surface and sulfides on the (111) surface. A mechanism for sulfur recovery from SO₂ is presented where SO₂ reacts with a surface sulfide to form a thiosulfite species. This thiosulfite species is subsequently reduced by an oxygen vacancy and desorbed as S₂(g).