Matches in SemOpenAlex for { <https://semopenalex.org/work/W4300795909> ?p ?o ?g. }
Showing items 1 to 63 of
63
with 100 items per page.
- W4300795909 abstract "I present here the results of the first principles studies of the adsorption energetics of the intermediates of the oxygen electro-reduction reaction (ORR) on the Se modified Ru(0001) surface. The calculations were performed for the 1/3 ML and 1/6 ML coverage of Se, as well as for the clean Ru(0001) as a reference. The binding energies of O and OH on Ru(0001) are found to decrease significantly upon the presence of the Se and this effect to be increasing with the Se coverage. The Se surface modification is found not to change Ru LDOS noticeably. However, Se atoms accept electronic charge from the surface and thus become negatively charged. As a result, they repeal electrostatically the adsorbed negatively charged O and OH intermediates, and this way reduce their binding energies. This effect provide an alternative way of tuning reactivity of the catalyst surfaces. Since for the Ru case, reduction of the O and OH binding energies makes ORR energetically favorable, Se modification dramatically improve the ORR rate on Ru. Adsorption of O2 and co-adsorption of the ORR intermediates and water have also been studied. The effect of the co-adsorption on the binding energies of O and OH are discussed." @default.
- W4300795909 created "2022-10-04" @default.
- W4300795909 creator A5087031243 @default.
- W4300795909 date "2011-07-30" @default.
- W4300795909 modified "2023-09-26" @default.
- W4300795909 title "Nature of selenium sub-monolayer effect on the oxygen electro-reduction reaction activity of Ru(0001)" @default.
- W4300795909 doi "https://doi.org/10.48550/arxiv.1108.0118" @default.
- W4300795909 hasPublicationYear "2011" @default.
- W4300795909 type Work @default.
- W4300795909 citedByCount "0" @default.
- W4300795909 crossrefType "posted-content" @default.
- W4300795909 hasAuthorship W4300795909A5087031243 @default.
- W4300795909 hasBestOaLocation W43007959091 @default.
- W4300795909 hasConcept C121332964 @default.
- W4300795909 hasConcept C142724271 @default.
- W4300795909 hasConcept C147789679 @default.
- W4300795909 hasConcept C150394285 @default.
- W4300795909 hasConcept C161790260 @default.
- W4300795909 hasConcept C178790620 @default.
- W4300795909 hasConcept C179104552 @default.
- W4300795909 hasConcept C185544564 @default.
- W4300795909 hasConcept C185592680 @default.
- W4300795909 hasConcept C204787440 @default.
- W4300795909 hasConcept C2776910235 @default.
- W4300795909 hasConcept C540031477 @default.
- W4300795909 hasConcept C55493867 @default.
- W4300795909 hasConcept C55904794 @default.
- W4300795909 hasConcept C7070889 @default.
- W4300795909 hasConcept C71924100 @default.
- W4300795909 hasConcept C93282013 @default.
- W4300795909 hasConceptScore W4300795909C121332964 @default.
- W4300795909 hasConceptScore W4300795909C142724271 @default.
- W4300795909 hasConceptScore W4300795909C147789679 @default.
- W4300795909 hasConceptScore W4300795909C150394285 @default.
- W4300795909 hasConceptScore W4300795909C161790260 @default.
- W4300795909 hasConceptScore W4300795909C178790620 @default.
- W4300795909 hasConceptScore W4300795909C179104552 @default.
- W4300795909 hasConceptScore W4300795909C185544564 @default.
- W4300795909 hasConceptScore W4300795909C185592680 @default.
- W4300795909 hasConceptScore W4300795909C204787440 @default.
- W4300795909 hasConceptScore W4300795909C2776910235 @default.
- W4300795909 hasConceptScore W4300795909C540031477 @default.
- W4300795909 hasConceptScore W4300795909C55493867 @default.
- W4300795909 hasConceptScore W4300795909C55904794 @default.
- W4300795909 hasConceptScore W4300795909C7070889 @default.
- W4300795909 hasConceptScore W4300795909C71924100 @default.
- W4300795909 hasConceptScore W4300795909C93282013 @default.
- W4300795909 hasLocation W43007959091 @default.
- W4300795909 hasOpenAccess W4300795909 @default.
- W4300795909 hasPrimaryLocation W43007959091 @default.
- W4300795909 hasRelatedWork W2005583882 @default.
- W4300795909 hasRelatedWork W2007976646 @default.
- W4300795909 hasRelatedWork W2027115197 @default.
- W4300795909 hasRelatedWork W2031596419 @default.
- W4300795909 hasRelatedWork W2031775678 @default.
- W4300795909 hasRelatedWork W2118246196 @default.
- W4300795909 hasRelatedWork W2161787500 @default.
- W4300795909 hasRelatedWork W2403090021 @default.
- W4300795909 hasRelatedWork W2903716093 @default.
- W4300795909 hasRelatedWork W4313252119 @default.
- W4300795909 isParatext "false" @default.
- W4300795909 isRetracted "false" @default.
- W4300795909 workType "article" @default.