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Lee, Geunsik
Computational Research on Electronic Structure and Transport in Condensed Materials
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dc.citation.startPage 123139 -
dc.citation.title APPLIED CATALYSIS B-ENVIRONMENTAL -
dc.citation.volume 339 -
dc.contributor.author Tiwari, Jitendra N. -
dc.contributor.author Umer, Muhammad -
dc.contributor.author Bhaskaran, Gokul -
dc.contributor.author Umer, Sohaib -
dc.contributor.author Lee, Geunsik -
dc.contributor.author Kim, Min Gyu -
dc.contributor.author Lee, Han-Koo -
dc.contributor.author Kumar, Krishan -
dc.contributor.author Vilian, A.T. Ezhil -
dc.contributor.author Huh, Yun Suk -
dc.contributor.author Han, Young-Kyu -
dc.date.accessioned 2023-12-21T11:40:55Z -
dc.date.available 2023-12-21T11:40:55Z -
dc.date.created 2023-08-02 -
dc.date.issued 2023-12 -
dc.description.abstract Progress in acidic water splitting has remained limited because of low oxygen evolution reaction (OER) activities, sluggish reaction kinetics, and severe catalyst degradation. Thus, a highly active and durable OER catalyst is required for the commercialization of acidic water electrolyzers. Here, we report t-phase ruthenium oxide atomic layers implanted on Mo2TiC2Tx MXene (RAL-M) as a model electrocatalyst for the OER in acidic media, which exhibits a remarkable mass activity (6.2 A mg−1), excellent turnover frequency (TOF; 2.4 s−1), and negligible loss of durability after 22 h in a two-electrode cell configuration. The mass activity and TOF of RAL-M are 150 times (RuO2-Premetek Co.) and 540 times (RuO2-Sigma-Aldrich) greater than the industrially adopted electrocatalysts at pH 0.48. Computational calculations show that the ruthenium active sites of RAL-M have a strong affinity to oxygen species (e.g., OH*, O*, and OOH*), which efficiently adapts water dissociation and favors both the adsorbate evolution and lattice oxygen mechanistic pathways to accelerate the OER. -
dc.identifier.bibliographicCitation APPLIED CATALYSIS B-ENVIRONMENTAL, v.339, pp.123139 -
dc.identifier.doi 10.1016/j.apcatb.2023.123139 -
dc.identifier.issn 0926-3373 -
dc.identifier.scopusid 2-s2.0-85166506339 -
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/65067 -
dc.identifier.wosid 001051354400001 -
dc.language 영어 -
dc.publisher Elsevier BV -
dc.title Atomic Layers of Ruthenium Oxide Coupled with Mo2TiC2Tx MXene for Exceptionally High Catalytic Activity Toward Water Oxidation -
dc.type Article -
dc.description.isOpenAccess FALSE -
dc.relation.journalWebOfScienceCategory Chemistry, Physical;Engineering, Environmental;Engineering, Chemical -
dc.relation.journalResearchArea Chemistry;Engineering -
dc.type.docType Article -
dc.description.journalRegisteredClass scie -
dc.description.journalRegisteredClass scopus -
dc.subject.keywordAuthor Mo2TiC2Tx MXene -
dc.subject.keywordAuthor Ruthenium oxide -
dc.subject.keywordAuthor Density functional theory -
dc.subject.keywordAuthor Molecular dynamics (MD) simulations -
dc.subject.keywordAuthor Oxygen evolution reaction -
dc.subject.keywordAuthor Water splitting -
dc.subject.keywordPlus OXYGEN EVOLUTION -
dc.subject.keywordPlus PHOTOELECTRON-SPECTROSCOPY -
dc.subject.keywordPlus HYDROGEN -
dc.subject.keywordPlus EFFICIENT -
dc.subject.keywordPlus ELECTRODES -
dc.subject.keywordPlus NANOTUBES -
dc.subject.keywordPlus CHEMISTRY -

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