Matches in SemOpenAlex for { <https://semopenalex.org/work/W4297884095> ?p ?o ?g. }
- W4297884095 endingPage "11691" @default.
- W4297884095 startingPage "11682" @default.
- W4297884095 abstract "In this work, we demonstrate the essential role of the formation of superoxo and peroxo complexes on single-atom catalysts (SACs), an aspect that is often neglected in the study of these systems. By means of density functional theory calculations, we consider a representative set of 11 transition metal atoms (Sc, V, Ti, Cr, Mn, Fe, Co, Ni, Cu, Pd, Pt) anchored on nitrogen-doped graphene, and we show that most of them form stable superoxo and peroxo intermediates when they react with molecular oxygen. Their formation has a direct impact on the oxygen evolution reaction (OER), and we develop the corresponding microkinetic models showing that this step of the reaction cannot be neglected. Depending on the transition metal atom, the inclusion of the superoxo/peroxo complexes in the analysis of the reaction profile can change the kinetics by several orders of magnitude. This work reveals the important role of dioxygen complexes species in the OER and reinforces the notion of SACs as analogs of coordination compounds." @default.
- W4297884095 created "2022-10-01" @default.
- W4297884095 creator A5018929838 @default.
- W4297884095 creator A5059896559 @default.
- W4297884095 creator A5087412983 @default.
- W4297884095 date "2022-09-12" @default.
- W4297884095 modified "2023-10-18" @default.
- W4297884095 title "Superoxo and Peroxo Complexes on Single-Atom Catalysts: Impact on the Oxygen Evolution Reaction" @default.
- W4297884095 cites W1859714531 @default.
- W4297884095 cites W1889359259 @default.
- W4297884095 cites W1970127494 @default.
- W4297884095 cites W1971113415 @default.
- W4297884095 cites W1978526482 @default.
- W4297884095 cites W1979544533 @default.
- W4297884095 cites W1981368803 @default.
- W4297884095 cites W1982153238 @default.
- W4297884095 cites W1986731219 @default.
- W4297884095 cites W1992902496 @default.
- W4297884095 cites W2000691277 @default.
- W4297884095 cites W2007395042 @default.
- W4297884095 cites W2010439031 @default.
- W4297884095 cites W2012392782 @default.
- W4297884095 cites W2018002864 @default.
- W4297884095 cites W2022714449 @default.
- W4297884095 cites W2028399121 @default.
- W4297884095 cites W2033431655 @default.
- W4297884095 cites W2036113194 @default.
- W4297884095 cites W2039475059 @default.
- W4297884095 cites W2060745946 @default.
- W4297884095 cites W2066548531 @default.
- W4297884095 cites W2068195463 @default.
- W4297884095 cites W2069299962 @default.
- W4297884095 cites W2079105963 @default.
- W4297884095 cites W2085412955 @default.
- W4297884095 cites W2087698390 @default.
- W4297884095 cites W2092157292 @default.
- W4297884095 cites W2118976774 @default.
- W4297884095 cites W2126954122 @default.
- W4297884095 cites W2133406747 @default.
- W4297884095 cites W2134716155 @default.
- W4297884095 cites W2146546128 @default.
- W4297884095 cites W2153118102 @default.
- W4297884095 cites W2157058142 @default.
- W4297884095 cites W2170344393 @default.
- W4297884095 cites W2174170240 @default.
- W4297884095 cites W2285520018 @default.
- W4297884095 cites W2317873538 @default.
- W4297884095 cites W2326484497 @default.
- W4297884095 cites W2557321703 @default.
- W4297884095 cites W2573377826 @default.
- W4297884095 cites W2575823937 @default.
- W4297884095 cites W2591409535 @default.
- W4297884095 cites W2614132704 @default.
- W4297884095 cites W2768954979 @default.
- W4297884095 cites W2778341989 @default.
- W4297884095 cites W2784002763 @default.
- W4297884095 cites W2785307491 @default.
- W4297884095 cites W2801820474 @default.
- W4297884095 cites W2805452404 @default.
- W4297884095 cites W2808601812 @default.
- W4297884095 cites W2884981137 @default.
- W4297884095 cites W2891108640 @default.
- W4297884095 cites W2903458365 @default.
- W4297884095 cites W2911483290 @default.
- W4297884095 cites W2914798838 @default.
- W4297884095 cites W2921275266 @default.
- W4297884095 cites W2943467285 @default.
- W4297884095 cites W2951925690 @default.
- W4297884095 cites W2977393440 @default.
- W4297884095 cites W2977591485 @default.
- W4297884095 cites W2993410545 @default.
- W4297884095 cites W3006713606 @default.
- W4297884095 cites W3010431482 @default.
- W4297884095 cites W3011546071 @default.
- W4297884095 cites W3012333879 @default.
- W4297884095 cites W3019500303 @default.
- W4297884095 cites W3035738108 @default.
- W4297884095 cites W3038566297 @default.
- W4297884095 cites W3041204924 @default.
- W4297884095 cites W3043858592 @default.
- W4297884095 cites W3094212385 @default.
- W4297884095 cites W3094427893 @default.
- W4297884095 cites W3194131481 @default.
- W4297884095 cites W3198170242 @default.
- W4297884095 cites W3215009183 @default.
- W4297884095 cites W4206414316 @default.
- W4297884095 cites W4207023725 @default.
- W4297884095 cites W4212895765 @default.
- W4297884095 cites W4225287835 @default.
- W4297884095 cites W4226321956 @default.
- W4297884095 cites W4235106781 @default.
- W4297884095 cites W4235941586 @default.
- W4297884095 doi "https://doi.org/10.1021/acscatal.2c03020" @default.
- W4297884095 hasPublicationYear "2022" @default.
- W4297884095 type Work @default.
- W4297884095 citedByCount "25" @default.
- W4297884095 countsByYear W42978840952022 @default.
- W4297884095 countsByYear W42978840952023 @default.