Matches in SemOpenAlex for { <https://semopenalex.org/work/W2978031474> ?p ?o ?g. }
- W2978031474 endingPage "112607" @default.
- W2978031474 startingPage "112607" @default.
- W2978031474 abstract "Abstract The goal of this study is to provide insight into the mechanism of the oxygen reduction reaction on the TiO2 rutile (1 1 0) surface in the presence of bridging hydroxyl groups. Considering the Langmuir–Hinshelwood and Eley–Rideal mechanisms, each possible intermediate was identified using density functional theory and a cluster model along with the energy barriers of the reduction steps and the O O bond breaking. Our results show that the initial step, the O2 adsorption on the surface, is favored compared to the pure surface. At higher potentials, the oxygen reduction reaction was found to go through the formation of HO2, which can easily convert to two terminal hydroxyl groups. The rate-limiting step is the desorption of the first H2O with 0.58 eV energy requirement at zero applied potential, while at 1.23 V the reduction of the adsorbed OH to form H2O is the bottleneck with a barrier height of 1.71 eV." @default.
- W2978031474 created "2019-10-10" @default.
- W2978031474 creator A5027116899 @default.
- W2978031474 creator A5032729521 @default.
- W2978031474 creator A5061712776 @default.
- W2978031474 date "2019-11-01" @default.
- W2978031474 modified "2023-10-03" @default.
- W2978031474 title "Oxygen reduction reaction on TiO2 rutile (1 1 0) surface in the presence of bridging hydroxyl groups" @default.
- W2978031474 cites W1603021514 @default.
- W2978031474 cites W1792233178 @default.
- W2978031474 cites W1973716895 @default.
- W2978031474 cites W1979778096 @default.
- W2978031474 cites W1985652786 @default.
- W2978031474 cites W1986252415 @default.
- W2978031474 cites W1988091937 @default.
- W2978031474 cites W1988259388 @default.
- W2978031474 cites W2001027098 @default.
- W2978031474 cites W2005096199 @default.
- W2978031474 cites W2011215428 @default.
- W2978031474 cites W2016739894 @default.
- W2978031474 cites W2026157645 @default.
- W2978031474 cites W2026235505 @default.
- W2978031474 cites W2026474637 @default.
- W2978031474 cites W2030687437 @default.
- W2978031474 cites W2034249349 @default.
- W2978031474 cites W2043805065 @default.
- W2978031474 cites W2044038177 @default.
- W2978031474 cites W2045445020 @default.
- W2978031474 cites W2056592284 @default.
- W2978031474 cites W2058363175 @default.
- W2978031474 cites W2060023027 @default.
- W2978031474 cites W2062387493 @default.
- W2978031474 cites W2062659047 @default.
- W2978031474 cites W2064385343 @default.
- W2978031474 cites W2064940710 @default.
- W2978031474 cites W2075205520 @default.
- W2978031474 cites W2075314982 @default.
- W2978031474 cites W2082127514 @default.
- W2978031474 cites W2086957099 @default.
- W2978031474 cites W2088100882 @default.
- W2978031474 cites W2088392024 @default.
- W2978031474 cites W2089278097 @default.
- W2978031474 cites W2092157292 @default.
- W2978031474 cites W2093344585 @default.
- W2978031474 cites W2095124048 @default.
- W2978031474 cites W2096747776 @default.
- W2978031474 cites W2110203260 @default.
- W2978031474 cites W2122283510 @default.
- W2978031474 cites W2139491573 @default.
- W2978031474 cites W2152443611 @default.
- W2978031474 cites W2167035995 @default.
- W2978031474 cites W2324300513 @default.
- W2978031474 cites W2326180239 @default.
- W2978031474 cites W2330839297 @default.
- W2978031474 cites W2595261691 @default.
- W2978031474 cites W2752287099 @default.
- W2978031474 cites W2777176783 @default.
- W2978031474 cites W2779895738 @default.
- W2978031474 cites W2782723324 @default.
- W2978031474 cites W2796712129 @default.
- W2978031474 cites W3099875791 @default.
- W2978031474 cites W3105642836 @default.
- W2978031474 doi "https://doi.org/10.1016/j.comptc.2019.112607" @default.
- W2978031474 hasPublicationYear "2019" @default.
- W2978031474 type Work @default.
- W2978031474 sameAs 2978031474 @default.
- W2978031474 citedByCount "9" @default.
- W2978031474 countsByYear W29780314742020 @default.
- W2978031474 countsByYear W29780314742021 @default.
- W2978031474 countsByYear W29780314742022 @default.
- W2978031474 countsByYear W29780314742023 @default.
- W2978031474 crossrefType "journal-article" @default.
- W2978031474 hasAuthorship W2978031474A5027116899 @default.
- W2978031474 hasAuthorship W2978031474A5032729521 @default.
- W2978031474 hasAuthorship W2978031474A5061712776 @default.
- W2978031474 hasBestOaLocation W29780314741 @default.
- W2978031474 hasConcept C111335779 @default.
- W2978031474 hasConcept C174348530 @default.
- W2978031474 hasConcept C178790620 @default.
- W2978031474 hasConcept C185592680 @default.
- W2978031474 hasConcept C2524010 @default.
- W2978031474 hasConcept C2777889555 @default.
- W2978031474 hasConcept C31258907 @default.
- W2978031474 hasConcept C33923547 @default.
- W2978031474 hasConcept C41008148 @default.
- W2978031474 hasConcept C540031477 @default.
- W2978031474 hasConcept C75473681 @default.
- W2978031474 hasConceptScore W2978031474C111335779 @default.
- W2978031474 hasConceptScore W2978031474C174348530 @default.
- W2978031474 hasConceptScore W2978031474C178790620 @default.
- W2978031474 hasConceptScore W2978031474C185592680 @default.
- W2978031474 hasConceptScore W2978031474C2524010 @default.
- W2978031474 hasConceptScore W2978031474C2777889555 @default.
- W2978031474 hasConceptScore W2978031474C31258907 @default.
- W2978031474 hasConceptScore W2978031474C33923547 @default.
- W2978031474 hasConceptScore W2978031474C41008148 @default.
- W2978031474 hasConceptScore W2978031474C540031477 @default.
- W2978031474 hasConceptScore W2978031474C75473681 @default.