dc.contributor.author | Chen, Bingxu | |
dc.contributor.author | Wang, Di | |
dc.contributor.author | Duan, Xuezhi | |
dc.contributor.author | Liu, Wei | |
dc.contributor.author | Li, Yefei | |
dc.contributor.author | Qian, Gang | |
dc.contributor.author | Yuan, Weikang | |
dc.contributor.author | Holmen, Anders | |
dc.contributor.author | Zhou, Xinggui | |
dc.contributor.author | Chen, De | |
dc.date.accessioned | 2019-04-25T10:26:54Z | |
dc.date.available | 2019-04-25T10:26:54Z | |
dc.date.created | 2018-10-25T14:18:42Z | |
dc.date.issued | 2018 | |
dc.identifier.citation | ACS Catalysis. 2018, 8 (4), 2709-2714. | nb_NO |
dc.identifier.issn | 2155-5435 | |
dc.identifier.uri | http://hdl.handle.net/11250/2595455 | |
dc.description.abstract | We performed DFT calculations to understand CO activation over a χ-Fe5C2 Fischer–Tropsch catalyst. The χ-Fe5C2 catalyst exhibits unique CO activation behaviors, and the BEP relation is nearly valid for this system. The physical basis of this relation mainly originates from the site-dependent charge of the involved surface Fe atoms for the CO activation. This descriptor is also applicable to describe the CO activation on the χ-Fe5C2 catalyst with more complex surface properties involving K promoter, nonstoichiometric termination, and/or carbon vacancy. The insights revealed here might guide the rational catalyst design via surface electronic modification. | nb_NO |
dc.language.iso | eng | nb_NO |
dc.publisher | American Chemical Society | nb_NO |
dc.title | Charge-Tuned CO Activation over a χ‑Fe5C2 Fischer−Tropsch Catalyst | nb_NO |
dc.type | Journal article | nb_NO |
dc.type | Peer reviewed | nb_NO |
dc.description.version | acceptedVersion | nb_NO |
dc.source.pagenumber | 2709-2714 | nb_NO |
dc.source.volume | 8 | nb_NO |
dc.source.journal | ACS Catalysis | nb_NO |
dc.source.issue | 4 | nb_NO |
dc.identifier.doi | 10.1021/acscatal.7b04370 | |
dc.identifier.cristin | 1623542 | |
dc.description.localcode | © American Chemical Society 2018. This is the authors accepted and refereed manuscript to the article. | nb_NO |
cristin.unitcode | 194,66,30,0 | |
cristin.unitname | Institutt for kjemisk prosessteknologi | |
cristin.ispublished | true | |
cristin.fulltext | postprint | |
cristin.qualitycode | 1 | |