Full metadata record
DC Field | Value | Language |
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dc.contributor.author | Tamarany, Rizcky | - |
dc.contributor.author | Shin, Dong Yun | - |
dc.contributor.author | Kang, Sukho | - |
dc.contributor.author | Jeong, Hyangsoo | - |
dc.contributor.author | Kim, Joohoon | - |
dc.contributor.author | Kim, Jun | - |
dc.contributor.author | Yoon, Chang Won | - |
dc.contributor.author | Lim, Dong-Hee | - |
dc.date.accessioned | 2024-01-19T14:33:33Z | - |
dc.date.available | 2024-01-19T14:33:33Z | - |
dc.date.created | 2021-09-05 | - |
dc.date.issued | 2021-05-21 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | https://pubs.kist.re.kr/handle/201004/116982 | - |
dc.description.abstract | Bimetallic Pd1Nix alloys supported on nitrogen-doped carbon (Pd1Nix/N-C, x = 0.37, 1.3 and 3.6) exhibit higher activities than Pd/N-C towards dehydrogenation of formic acid (HCO2H, FA). Density functional theory (DFT) calculations provided electronic and atomic structures, energetics and reaction pathways on Pd(111) and Pd1Nix(111) surfaces of different Pd/Ni compositions. A density of states (DOS) analysis disclosed the electronic interactions between Pd and Ni revealing novel active sites for FA dehydrogenation. Theoretical analysis of FA dehydrogenation on Pd1Nix(111) (x = 0.33, 1 and 3) shows that the Pd1Ni1(111) surface provides optimum H-2-release efficiency via a favorable 'HCOO pathway', in which a hydrogen atom and one of the two oxygen atoms of FA interact directly with surface Ni atoms producing adsorbed CO2 and H-2. The enhanced efficiency is also attributed to the blocking of an unfavorable 'COOH pathway' through which a C-O bond is broken and side products of CO and H2O are generated. | - |
dc.language | English | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.title | Formic acid dehydrogenation over PdNi alloys supported on N-doped carbon: synergistic effect of Pd-Ni alloying on hydrogen release | - |
dc.type | Article | - |
dc.identifier.doi | 10.1039/d1cp00236h | - |
dc.description.journalClass | 1 | - |
dc.identifier.bibliographicCitation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.23, no.19, pp.11515 - 11527 | - |
dc.citation.title | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.citation.volume | 23 | - |
dc.citation.number | 19 | - |
dc.citation.startPage | 11515 | - |
dc.citation.endPage | 11527 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.identifier.wosid | 000648025800001 | - |
dc.identifier.scopusid | 2-s2.0-85106731217 | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Physics, Atomic, Molecular & Chemical | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Physics | - |
dc.type.docType | Article | - |
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