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Lee, Geunsik
Computational Research on Electronic Structure and Transport in Condensed Materials
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An Amiable Design of Cobalt Single Atoms as the Active Sites for Oxygen Evolution Reaction in Desalinated Seawater

Author(s)
Venkateswarlu, SadaUmer, MuhammadSon, YounghuGovindaraju, SaravananChellasamy, GayathriPanda, AtanuPark, JuseongUmer, SohaibKim, JeonghyeonChoi, Sang‐IlYun, KyusikYoon, MinyoungLee, GeunsikKim, Myung Jong
Issued Date
2024-01
DOI
10.1002/smll.202305289
URI
https://scholarworks.unist.ac.kr/handle/201301/65420
Citation
SMALL, v.20, no.1, pp.2305289
Abstract
Green fuel from water splitting is hardcore for future generations, and the limited source of fresh water (<1%) is a bottleneck. Seawater cannot be used directly as a feedstock in current electrolyzer techniques. Until now single atom catalysts were reported by many synthetic strategies using notorious chemicals and harsh conditions. A cobalt single-atom (CoSA) intruding cobalt oxide ultrasmall nanoparticle (Co3O4 USNP)-intercalated porous carbon (PC) (CoSA-Co3O4@PC) electrocatalyst was synthesized from the waste orange peel as a single feedstock (solvent/template). The extended X-ray absorption fine structure spectroscopy (EXAFS) and theoretical fitting reveal a clear picture of the coordination environment of the CoSA sites (CoSA-Co3O4 and CoSA-N4 in PC). To impede the direct seawater corrosion and chlorine evolution the seawater has been desalinated (Dseawater) with minimal cost and the obtained PC is used as an adsorbent in this process. CoSA-Co3O4@PC shows high oxygen evolution reaction (OER) activity in transitional metal impurity-free (TMIF) 1 M KOH and alkaline Dseawater. CoSA-Co3O4@PC exhibits mass activity that is 15 times higher than the commercial RuO2. Theoretical interpretations suggest that the optimized CoSA sites in Co3O4 USNPs reduce the energy barrier for alkaline water dissociation and simultaneously trigger an excellent OER followed by an adsorbate evolution mechanism (AEM).
Publisher
Wiley - V C H Verlag GmbbH & Co.
ISSN
1613-6810
Keyword (Author)
cobalt single atomsdensity functional theorydesalinated seawaterorange peeloxygen evolution reactionultra small Co3O4
Keyword
CARBONIDENTIFICATIONSURFACENANOPARTICLESDEFECTSPOLYMERCATALYTIC-OXIDATIONELECTROCATALYSTSEFFICIENTHYDROGEN

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