Effects of metals doping on the removal of Hg and H2S over ceria
Source abstract
Abstract
Abstract The effects of Mn and Fe doping into the CeO 2 (111) surface on the simultaneous removal of Hg and H 2 S was investigated, a density functional theory calculation with the on-site Coulomb interaction taken into account was adopted. The adsorptions of Hg-containing species on perfect CeO 2 (111), Mn/CeO 2 (111) and Fe/CeO 2 (111) surfaces were studied, the results showed that Mn and Fe dopants facilitated Hg adsorption, and more charge transferred from Hg atom to the metal doped surfaces; HgS preferred to adsorb on the perfect surface with the dissociated mode, while with the molecular mode on Mn/CeO 2 (111) and Fe/CeO 2 (111) surfaces. The reaction mechanism show that the dissociated S by H 2 S can easily react with Hg leading to the formation of HgS on Mn/CeO 2 (111) and Fe/CeO 2 (111) surfaces, which is crucial to capture mercury.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Mercury impact and mitigation studies · Gas Sensing Nanomaterials and Sensors · ZnO doping and properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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