Dynamic structural evolution of iron catalysts involving competitive oxidation and carburization during CO2 hydrogenation

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dc.citation.issueNumber5en_US
dc.citation.journalTitleScience Advancesen_US
dc.citation.volumeNumber8en_US
dc.contributor.authorZhu, Jieen_US
dc.contributor.authorWang, Pengen_US
dc.contributor.authorZhang, Xiaobenen_US
dc.contributor.authorZhang, Guanghuien_US
dc.contributor.authorLi, Rongtanen_US
dc.contributor.authorLi, Wenhuien_US
dc.contributor.authorSenftle, Thomas P.en_US
dc.contributor.authorLiu, Weien_US
dc.contributor.authorWang, Jianyangen_US
dc.contributor.authorWang, Yanlien_US
dc.contributor.authorZhang, Anfengen_US
dc.contributor.authorFu, Qiangen_US
dc.contributor.authorSong, Chunshanen_US
dc.contributor.authorGuo, Xinwenen_US
dc.date.accessioned2022-03-24T13:31:51Zen_US
dc.date.available2022-03-24T13:31:51Zen_US
dc.date.issued2022en_US
dc.description.abstractIdentifying the dynamic structure of heterogeneous catalysts is crucial for the rational design of new ones. In this contribution, the structural evolution of Fe(0) catalysts during CO2 hydrogenation to hydrocarbons has been investigated by using several (quasi) in situ techniques. Upon initial reduction, Fe species are carburized to Fe3C and then to Fe5C2. The by-product of CO2 hydrogenation, H2O, oxidizes the iron carbide to Fe3O4. The formation of Fe3O4@(Fe5C2+Fe3O4) core-shell structure was observed at steady state, and the surface composition depends on the balance of oxidation and carburization, where water plays a key role in the oxidation. The performance of CO2 hydrogenation was also correlated with the dynamic surface structure. Theoretical calculations and controll experiments reveal the interdependence between the phase transition and reactive environment. We also suggest a practical way to tune the competitive reactions to maintain an Fe5C2-rich surface for a desired C2+ productivity.en_US
dc.identifier.citationZhu, Jie, Wang, Peng, Zhang, Xiaoben, et al.. "Dynamic structural evolution of iron catalysts involving competitive oxidation and carburization during CO2 hydrogenation." <i>Science Advances,</i> 8, no. 5 (2022) AAAS: https://doi.org/10.1126/sciadv.abm3629.en_US
dc.identifier.digitalsciadv-abm3629en_US
dc.identifier.doihttps://doi.org/10.1126/sciadv.abm3629en_US
dc.identifier.urihttps://hdl.handle.net/1911/112065en_US
dc.language.isoengen_US
dc.publisherAAASen_US
dc.rightsDistributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).en_US
dc.rights.urihttps://creativecommons.org/licenses/by-nc/4.0/en_US
dc.titleDynamic structural evolution of iron catalysts involving competitive oxidation and carburization during CO2 hydrogenationen_US
dc.typeJournal articleen_US
dc.type.dcmiTexten_US
dc.type.publicationpublisher versionen_US
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