DC Field | Value | Language |
---|---|---|
dc.contributor.author | Back, Seoin | ko |
dc.contributor.author | Jung, Yousung | ko |
dc.date.accessioned | 2017-06-16T04:01:50Z | - |
dc.date.available | 2017-06-16T04:01:50Z | - |
dc.date.created | 2017-06-05 | - |
dc.date.created | 2017-06-05 | - |
dc.date.created | 2017-06-05 | - |
dc.date.issued | 2017-05 | - |
dc.identifier.citation | ACS ENERGY LETTERS, v.2, no.5, pp.969 - 975 | - |
dc.identifier.issn | 2380-8195 | - |
dc.identifier.uri | http://hdl.handle.net/10203/224086 | - |
dc.description.abstract | CO2 electrochemical catalysis is limited by scaling relations due to a d-band theory of transition metals. As a means of breaking the scaling relation, it has recently been reported that hybridizing the d-orbitals of transition metal with p-orbitals of main group elements or using naturally hybridized materials such as metal carbides and nitrides is a promising strategy. In this Letter, by means of density functional theory calculations, we investigate the catalytic properties of TiC, TiN, and single-atom catalysts supported on them for CO2 electrochemical reduction. In particular, we found that when single transition-metal atoms are inserted into the surface defect sites of TiC, denoted as M@d-TiC (M = Ag, Au, Co, Cu, Fe, Ir, Ni, Os, Pd, Pt, Rh, or Ru), the iridium-doped TiC (Ir@d-TiC) is found to have a remarkably low overpotential of -0.09 V, the lowest value among any catalysts reported in the literature to selectively produce CH4 (-0.3 similar to -1.0 V). It is also shown that possible surface protonation reactions on TiC as a side reaction can be ignored because the overpotential (-0.38 V) is significantly larger than that of the CO, electrochemical reduction reaction on single-atom catalysts (e.g., -0.09 V). The origin of an extraordinary catalytic activity of Ir@d-TiC is also explained. This work clearly demonstrates the great potential of carbides and single-atom catalysts supported on TiC as active and selective CO, reduction catalysts, and perhaps for other electrochemical applications as well. | - |
dc.language | English | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.subject | TRANSITION-METAL CARBIDES | - |
dc.subject | CARBON-DIOXIDE REDUCTION | - |
dc.subject | OXYGEN REDUCTION | - |
dc.subject | ELECTROCATALYTIC REDUCTION | - |
dc.subject | MOLYBDENUM-DISULFIDE | - |
dc.subject | SCALING RELATIONS | - |
dc.subject | LOW-COST | - |
dc.subject | ELECTROREDUCTION | - |
dc.subject | HYDROCARBONS | - |
dc.subject | SELECTIVITY | - |
dc.title | TiC- and TiN-Supported Single-Atom Catalysts for Dramatic Improvements in CO2 Electrochemical Reduction to CH4 | - |
dc.type | Article | - |
dc.identifier.wosid | 000401500200004 | - |
dc.identifier.scopusid | 2-s2.0-85028658092 | - |
dc.type.rims | ART | - |
dc.citation.volume | 2 | - |
dc.citation.issue | 5 | - |
dc.citation.beginningpage | 969 | - |
dc.citation.endingpage | 975 | - |
dc.citation.publicationname | ACS ENERGY LETTERS | - |
dc.identifier.doi | 10.1021/acsenergylett.7b00152 | - |
dc.contributor.localauthor | Jung, Yousung | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | TRANSITION-METAL CARBIDES | - |
dc.subject.keywordPlus | CARBON-DIOXIDE REDUCTION | - |
dc.subject.keywordPlus | OXYGEN REDUCTION | - |
dc.subject.keywordPlus | ELECTROCATALYTIC REDUCTION | - |
dc.subject.keywordPlus | MOLYBDENUM-DISULFIDE | - |
dc.subject.keywordPlus | SCALING RELATIONS | - |
dc.subject.keywordPlus | LOW-COST | - |
dc.subject.keywordPlus | ELECTROREDUCTION | - |
dc.subject.keywordPlus | HYDROCARBONS | - |
dc.subject.keywordPlus | SELECTIVITY | - |
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