FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2067050800> ?p ?o ?g. }

• W2067050800 endingPage "326" @default.
• W2067050800 startingPage "317" @default.
• W2067050800 abstract "The fundamental assumption of the bi-functional mechanism for PtSn alloy to catalyze ethanol electro-oxidation reaction (EER) is that Sn facilitates water dissociation and EER occurs over Pt site of the PtSn alloy. To clarify this assumption and achieve a good understanding about the EER, H(2)O adsorption and dissociation over bimetallic clusters PtM (M=Pt, Sn, Ru, Rh, Pd, Cu and Re) are systematically investigated in the present work. To discuss a variety of effects, Pt(n)M (n=2, and 3; M=Pt, Sn and Ru), one-layer Pt(6)M (M=Pt, Sn and Ru), and two-layer (Pt(6)M)Pt(3) (M=Pt, Sn, Ru, Rh, Pd, Cu and Re) clusters are used to model the PtM bimetallic catalysts. Water exhibits atop adsorption on Pt and Ru sites of the optimized clusters Pt(n)M (n=2, and 3; M=Pt and Ru), yet bridge adsorption on Sn sites of Pt(2)Sn as well as distorted tetrahedral Pt(3)Sn. However, in the cases of one-layer Pt(6)M and two-layer Pt(9)M cluster models water preferentially binds to all of investigated central atom M of surface layer in atop configuration with the dipole moment of water almost parallel to the cluster surface. Water adsorption on the Sn site of Pt(n)Sn (n=2 and 3) is weaker than those on the Pt site of Pt(n) (n=3 and 4) and the Ru site of Pt(n)Ru (n=2 and 3), while water adsorptions on the central Sn atom of Pt(6)Sn and Pt(9)Sn are enhanced so significantly that they are even stronger than those on the central Pt and Ru atoms of PtnM (n=6 and 9; M=Pt and Ru). For all of the three cluster models, energy barrier (E(a)) for the dissociation of adsorbed water over Sn is lower than over Ru and Pt atoms (e.g., E(a): 0.78 vs 0.96 and 1.07 eV for Pt(9)M), which also remains as external electric fields were added. It is interesting to note that the dissociation energy on Sn site is also the lowest (E(diss): 0.44 vs 0.61 and 0.67eV). The results show that from both kinetic and thermodynamic viewpoints Sn is more active to water decomposition than pure Pt and the PtRu alloy, which well supports the assumption of the bi-functional mechanism that Sn site accelerates the dissociation of H(2)O. The extended investigation for water behavior on the (Pt(6)M)Pt(3) (M=Pt, Sn, Ru, Rh, Pd, Cu and Re) clusters indicate that the kinetic activity for water dissociation increases in the sequence of Cu < Pd < Rh < Pt < Ru < Sn < Re." @default.
• W2067050800 created "2016-06-24" @default.
• W2067050800 creator A5032359641 @default.
• W2067050800 creator A5037991647 @default.
• W2067050800 creator A5056334408 @default.
• W2067050800 creator A5082320947 @default.
• W2067050800 date "2009-12-11" @default.
• W2067050800 modified "2023-09-23" @default.
• W2067050800 title "Understanding Electrocatalytic Activity Enhancement of Bimetallic Particles to Ethanol Electro-oxidation. 1. Water Adsorption and Decomposition on Pt_<i>n</i>M (<i>n</i> = 2, 3, and 9; M = Pt, Ru, and Sn)" @default.
• W2067050800 cites W1524470744 @default.
• W2067050800 cites W1541727885 @default.
• W2067050800 cites W1963961307 @default.
• W2067050800 cites W1966546226 @default.
• W2067050800 cites W1967865205 @default.
• W2067050800 cites W1971909829 @default.
• W2067050800 cites W1972256749 @default.
• W2067050800 cites W1995152244 @default.
• W2067050800 cites W1997977939 @default.
• W2067050800 cites W2007010529 @default.
• W2067050800 cites W2012516386 @default.
• W2067050800 cites W2017104120 @default.
• W2067050800 cites W2020331045 @default.
• W2067050800 cites W2024475084 @default.
• W2067050800 cites W2029301032 @default.
• W2067050800 cites W2035034028 @default.
• W2067050800 cites W2035110956 @default.
• W2067050800 cites W2043838908 @default.
• W2067050800 cites W2044494930 @default.
• W2067050800 cites W2054366371 @default.
• W2067050800 cites W2055175754 @default.
• W2067050800 cites W2064353594 @default.
• W2067050800 cites W2071086047 @default.
• W2067050800 cites W2073435811 @default.
• W2067050800 cites W2074978493 @default.
• W2067050800 cites W2081780452 @default.
• W2067050800 cites W2088942252 @default.
• W2067050800 doi "https://doi.org/10.1021/jp9062669" @default.
• W2067050800 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/2844726" @default.
• W2067050800 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20336187" @default.
• W2067050800 hasPublicationYear "2009" @default.
• W2067050800 type Work @default.
• W2067050800 sameAs 2067050800 @default.
• W2067050800 citedByCount "42" @default.
• W2067050800 countsByYear W20670508002012 @default.
• W2067050800 countsByYear W20670508002013 @default.
• W2067050800 countsByYear W20670508002014 @default.
• W2067050800 countsByYear W20670508002015 @default.
• W2067050800 countsByYear W20670508002016 @default.
• W2067050800 countsByYear W20670508002017 @default.
• W2067050800 countsByYear W20670508002019 @default.
• W2067050800 countsByYear W20670508002020 @default.
• W2067050800 countsByYear W20670508002021 @default.
• W2067050800 countsByYear W20670508002022 @default.
• W2067050800 countsByYear W20670508002023 @default.
• W2067050800 crossrefType "journal-article" @default.
• W2067050800 hasAuthorship W2067050800A5032359641 @default.
• W2067050800 hasAuthorship W2067050800A5037991647 @default.
• W2067050800 hasAuthorship W2067050800A5056334408 @default.
• W2067050800 hasAuthorship W2067050800A5082320947 @default.
• W2067050800 hasBestOaLocation W20670508002 @default.
• W2067050800 hasConcept C102931765 @default.
• W2067050800 hasConcept C147789679 @default.
• W2067050800 hasConcept C150394285 @default.
• W2067050800 hasConcept C161790260 @default.
• W2067050800 hasConcept C178790620 @default.
• W2067050800 hasConcept C179104552 @default.
• W2067050800 hasConcept C185592680 @default.
• W2067050800 hasConcept C2780026712 @default.
• W2067050800 hasConcept C43411465 @default.
• W2067050800 hasConcept C518104683 @default.
• W2067050800 hasConcept C55493867 @default.
• W2067050800 hasConcept C8010536 @default.
• W2067050800 hasConceptScore W2067050800C102931765 @default.
• W2067050800 hasConceptScore W2067050800C147789679 @default.
• W2067050800 hasConceptScore W2067050800C150394285 @default.
• W2067050800 hasConceptScore W2067050800C161790260 @default.
• W2067050800 hasConceptScore W2067050800C178790620 @default.
• W2067050800 hasConceptScore W2067050800C179104552 @default.
• W2067050800 hasConceptScore W2067050800C185592680 @default.
• W2067050800 hasConceptScore W2067050800C2780026712 @default.
• W2067050800 hasConceptScore W2067050800C43411465 @default.
• W2067050800 hasConceptScore W2067050800C518104683 @default.
• W2067050800 hasConceptScore W2067050800C55493867 @default.
• W2067050800 hasConceptScore W2067050800C8010536 @default.
• W2067050800 hasIssue "1" @default.
• W2067050800 hasLocation W20670508001 @default.
• W2067050800 hasLocation W20670508002 @default.
• W2067050800 hasLocation W20670508003 @default.
• W2067050800 hasLocation W20670508004 @default.
• W2067050800 hasOpenAccess W2067050800 @default.
• W2067050800 hasPrimaryLocation W20670508001 @default.
• W2067050800 hasRelatedWork W121621512 @default.
• W2067050800 hasRelatedWork W1969160802 @default.
• W2067050800 hasRelatedWork W1981533588 @default.
• W2067050800 hasRelatedWork W2024151519 @default.
• W2067050800 hasRelatedWork W2027293010 @default.
• W2067050800 hasRelatedWork W2042709512 @default.
• W2067050800 hasRelatedWork W2520868571 @default.

• next