Matches in SemOpenAlex for { <https://semopenalex.org/work/W2914798838> ?p ?o ?g. }
- W2914798838 endingPage "5582" @default.
- W2914798838 startingPage "5578" @default.
- W2914798838 abstract "Electrocatalysts are mainly characterized by their intrinsic adsorption properties. However, the observed electrocatalytic activity ultimately results from the interplay between such properties and various additional interactions within the electrified solid–liquid interface. One of such phenomena is solvation, which can substantially affect the stability of adsorbates. The incorporation of solvation in computational electrocatalysis models can be fully implicit (inaccurate for H-bonded adsorbates), fully explicit (challenging computation of free energies), or embedded. Here, we show that without any need for explicit or implicit media, a microsolvation approach with just three water molecules captures the contribution of co-adsorbed water to the adsorption energies of *OH and *OOH (two important adsorbates for oxygen reduction) on platinum nanoparticles of various sizes. The approach enables an accurate yet inexpensive explicit modeling of solvent–adsorbate interactions in nanoparticles and the calculati..." @default.
- W2914798838 created "2019-02-21" @default.
- W2914798838 creator A5012273051 @default.
- W2914798838 creator A5013184121 @default.
- W2914798838 creator A5020956698 @default.
- W2914798838 creator A5025258970 @default.
- W2914798838 creator A5086304673 @default.
- W2914798838 date "2019-02-08" @default.
- W2914798838 modified "2023-10-18" @default.
- W2914798838 title "Affordable Estimation of Solvation Contributions to the Adsorption Energies of Oxygenates on Metal Nanoparticles" @default.
- W2914798838 cites W1607194010 @default.
- W2914798838 cites W1974126996 @default.
- W2914798838 cites W2003264875 @default.
- W2914798838 cites W2009816387 @default.
- W2914798838 cites W2026467865 @default.
- W2914798838 cites W2036431015 @default.
- W2914798838 cites W2040833808 @default.
- W2914798838 cites W2054055183 @default.
- W2914798838 cites W2059835590 @default.
- W2914798838 cites W2077036347 @default.
- W2914798838 cites W2079579699 @default.
- W2914798838 cites W2080083364 @default.
- W2914798838 cites W2083222334 @default.
- W2914798838 cites W2086600191 @default.
- W2914798838 cites W2120318938 @default.
- W2914798838 cites W2126954122 @default.
- W2914798838 cites W2140891874 @default.
- W2914798838 cites W2149467519 @default.
- W2914798838 cites W2160488576 @default.
- W2914798838 cites W2167035995 @default.
- W2914798838 cites W2181167839 @default.
- W2914798838 cites W2262215104 @default.
- W2914798838 cites W2326340689 @default.
- W2914798838 cites W2492263420 @default.
- W2914798838 cites W2503466308 @default.
- W2914798838 cites W2517061603 @default.
- W2914798838 cites W2560638817 @default.
- W2914798838 cites W2560817592 @default.
- W2914798838 cites W2580411138 @default.
- W2914798838 cites W2614132704 @default.
- W2914798838 cites W2622528380 @default.
- W2914798838 cites W2763127682 @default.
- W2914798838 cites W2765393640 @default.
- W2914798838 cites W2801243967 @default.
- W2914798838 cites W2889801725 @default.
- W2914798838 cites W3098294205 @default.
- W2914798838 cites W3101544822 @default.
- W2914798838 doi "https://doi.org/10.1021/acs.jpcc.9b01211" @default.
- W2914798838 hasPublicationYear "2019" @default.
- W2914798838 type Work @default.
- W2914798838 sameAs 2914798838 @default.
- W2914798838 citedByCount "51" @default.
- W2914798838 countsByYear W29147988382019 @default.
- W2914798838 countsByYear W29147988382020 @default.
- W2914798838 countsByYear W29147988382021 @default.
- W2914798838 countsByYear W29147988382022 @default.
- W2914798838 countsByYear W29147988382023 @default.
- W2914798838 crossrefType "journal-article" @default.
- W2914798838 hasAuthorship W2914798838A5012273051 @default.
- W2914798838 hasAuthorship W2914798838A5013184121 @default.
- W2914798838 hasAuthorship W2914798838A5020956698 @default.
- W2914798838 hasAuthorship W2914798838A5025258970 @default.
- W2914798838 hasAuthorship W2914798838A5086304673 @default.
- W2914798838 hasBestOaLocation W29147988382 @default.
- W2914798838 hasConcept C108285982 @default.
- W2914798838 hasConcept C127413603 @default.
- W2914798838 hasConcept C148093993 @default.
- W2914798838 hasConcept C150394285 @default.
- W2914798838 hasConcept C155672457 @default.
- W2914798838 hasConcept C159467904 @default.
- W2914798838 hasConcept C161790260 @default.
- W2914798838 hasConcept C171250308 @default.
- W2914798838 hasConcept C178790620 @default.
- W2914798838 hasConcept C185592680 @default.
- W2914798838 hasConcept C192562407 @default.
- W2914798838 hasConcept C32909587 @default.
- W2914798838 hasConcept C42360764 @default.
- W2914798838 hasConcept C544153396 @default.
- W2914798838 hasConceptScore W2914798838C108285982 @default.
- W2914798838 hasConceptScore W2914798838C127413603 @default.
- W2914798838 hasConceptScore W2914798838C148093993 @default.
- W2914798838 hasConceptScore W2914798838C150394285 @default.
- W2914798838 hasConceptScore W2914798838C155672457 @default.
- W2914798838 hasConceptScore W2914798838C159467904 @default.
- W2914798838 hasConceptScore W2914798838C161790260 @default.
- W2914798838 hasConceptScore W2914798838C171250308 @default.
- W2914798838 hasConceptScore W2914798838C178790620 @default.
- W2914798838 hasConceptScore W2914798838C185592680 @default.
- W2914798838 hasConceptScore W2914798838C192562407 @default.
- W2914798838 hasConceptScore W2914798838C32909587 @default.
- W2914798838 hasConceptScore W2914798838C42360764 @default.
- W2914798838 hasConceptScore W2914798838C544153396 @default.
- W2914798838 hasIssue "9" @default.
- W2914798838 hasLocation W29147988381 @default.
- W2914798838 hasLocation W29147988382 @default.
- W2914798838 hasLocation W29147988383 @default.
- W2914798838 hasLocation W29147988384 @default.
- W2914798838 hasLocation W29147988385 @default.