Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/14845
Title: Design of Sulfur Resistant Cobalt Catalysts by Boron Promotion: Atomic Scale Insights
Authors: Kızılkaya, Ali Can
Abstract: The effect of boron promotion on atomic sulfur formation by hydrogen sulfide dissociation on Co(111), flat surfaces of cobalt nanoparticles, was investigated using Density Functional Theory calculations. The results show that on clean Co(111), hydrogen sulfide dissociation proceeds fast due to low activation barriers, yielding atomic sulfur on the cobalt surfaces. Boron promotion hinders the dissociation of hydrogen sulfide due to increased activation barriers. Furthermore, boron prevents the interaction of sulfur compounds with cobalt surface atoms, as these poisons bind on boron. The findings indicate that boron is an effective promoter that can be used to design sulfur resistant cobalt catalysts.
URI: https://doi.org/10.16984/saufenbilder.1352961
https://search.trdizin.gov.tr/en/yayin/detay/1247248/design-of-sulfur-resistant-cobalt-catalysts-by-boron-promotion-atomic-scale-insights
https://hdl.handle.net/11147/14845
ISSN: 1301-4048
2147-835X
Appears in Collections:TR Dizin İndeksli Yayınlar / TR Dizin Indexed Publications Collection

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