FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3204158690> ?p ?o ?g. }

• W3204158690 endingPage "14073" @default.
• W3204158690 startingPage "14065" @default.
• W3204158690 abstract "Heterogeneous Ni-N-C single-atom catalysts (SACs) have attracted great research interest regarding their capability in facilitating the CO2 reduction reaction (CO2RR), with CO accounting for the major product. However, the fundamental nature of their active Ni sites remains controversial, since the typically proposed pyridinic-type Ni configurations are inactive, display low selectivity, and/or possess an unfavorable formation energy. Herein, we present a constant-potential first-principles and microkinetic model to study the CO2RR at a solid-water interface, which shows that the electrode potential is crucial for governing CO2 activation. A formation energy analysis on several NiN x C4-x (x = 1-4) moieties indicates that the predominant Ni moieties of Ni-N-C SACs are expected to have a formula of NiN4. After determining the potential-dependent thermodynamic and kinetic energy of these Ni moieties, we discover that the energetically favorable pyrrolic-type NiN4 moiety displays high activity for facilitating the selective CO2RR over the competing H2 evolution. Moreover, model polarization curves and Tafel analysis results exhibit reasonable agreement with existing experimental data. This work highlights the intrinsic tetrapyrrolic coordination of Ni for facilitating the CO2RR and offers practical guidance for the rational improvement of SACs, and this model can be expanded to explore mechanisms of other electrocatalysis in aqueous solutions." @default.
• W3204158690 created "2021-10-11" @default.
• W3204158690 creator A5003193423 @default.
• W3204158690 creator A5060069116 @default.
• W3204158690 creator A5084460468 @default.
• W3204158690 date "2021-01-01" @default.
• W3204158690 modified "2023-10-11" @default.
• W3204158690 title "Origin of the N-coordinated single-atom Ni sites in heterogeneous electrocatalysts for CO₂ reduction reaction" @default.
• W3204158690 cites W1168565912 @default.
• W3204158690 cites W1970127494 @default.
• W3204158690 cites W1986977956 @default.
• W3204158690 cites W2010505630 @default.
• W3204158690 cites W2078630544 @default.
• W3204158690 cites W2079105963 @default.
• W3204158690 cites W2083222334 @default.
• W3204158690 cites W2122427541 @default.
• W3204158690 cites W2128807368 @default.
• W3204158690 cites W2142673305 @default.
• W3204158690 cites W2155563668 @default.
• W3204158690 cites W2225719359 @default.
• W3204158690 cites W2313881619 @default.
• W3204158690 cites W2326264304 @default.
• W3204158690 cites W2328928309 @default.
• W3204158690 cites W2474915751 @default.
• W3204158690 cites W2742328466 @default.
• W3204158690 cites W2761329828 @default.
• W3204158690 cites W2761427375 @default.
• W3204158690 cites W2762985090 @default.
• W3204158690 cites W2786709116 @default.
• W3204158690 cites W2790507915 @default.
• W3204158690 cites W2811283851 @default.
• W3204158690 cites W2896096281 @default.
• W3204158690 cites W2900141974 @default.
• W3204158690 cites W2902358267 @default.
• W3204158690 cites W2904469459 @default.
• W3204158690 cites W2908961493 @default.
• W3204158690 cites W2944503378 @default.
• W3204158690 cites W2949697738 @default.
• W3204158690 cites W2949793440 @default.
• W3204158690 cites W2971217758 @default.
• W3204158690 cites W2972257349 @default.
• W3204158690 cites W2972593701 @default.
• W3204158690 cites W2985454615 @default.
• W3204158690 cites W2996101183 @default.
• W3204158690 cites W2999050709 @default.
• W3204158690 cites W3000519054 @default.
• W3204158690 cites W3003442741 @default.
• W3204158690 cites W3009385115 @default.
• W3204158690 cites W3022461345 @default.
• W3204158690 cites W3041228890 @default.
• W3204158690 cites W3048258011 @default.
• W3204158690 cites W3084901341 @default.
• W3204158690 cites W3091030757 @default.
• W3204158690 cites W3101544822 @default.
• W3204158690 cites W3106145775 @default.
• W3204158690 cites W3106447988 @default.
• W3204158690 cites W3128327115 @default.
• W3204158690 cites W3132411644 @default.
• W3204158690 cites W3133377157 @default.
• W3204158690 cites W3134658610 @default.
• W3204158690 cites W3158016175 @default.
• W3204158690 cites W3160475356 @default.
• W3204158690 doi "https://doi.org/10.1039/d1sc04094d" @default.
• W3204158690 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8565395" @default.
• W3204158690 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34760190" @default.
• W3204158690 hasPublicationYear "2021" @default.
• W3204158690 type Work @default.
• W3204158690 sameAs 3204158690 @default.
• W3204158690 citedByCount "27" @default.
• W3204158690 countsByYear W32041586902022 @default.
• W3204158690 countsByYear W32041586902023 @default.
• W3204158690 crossrefType "journal-article" @default.
• W3204158690 hasAuthorship W3204158690A5003193423 @default.
• W3204158690 hasAuthorship W3204158690A5060069116 @default.
• W3204158690 hasAuthorship W3204158690A5084460468 @default.
• W3204158690 hasBestOaLocation W32041586901 @default.
• W3204158690 hasConcept C147789679 @default.
• W3204158690 hasConcept C161790260 @default.
• W3204158690 hasConcept C172404476 @default.
• W3204158690 hasConcept C17525397 @default.
• W3204158690 hasConcept C178790620 @default.
• W3204158690 hasConcept C179104552 @default.
• W3204158690 hasConcept C184651966 @default.
• W3204158690 hasConcept C185592680 @default.
• W3204158690 hasConcept C21951064 @default.
• W3204158690 hasConcept C2776568683 @default.
• W3204158690 hasConcept C33989665 @default.
• W3204158690 hasConcept C52859227 @default.
• W3204158690 hasConcept C55904794 @default.
• W3204158690 hasConcept C71240020 @default.
• W3204158690 hasConceptScore W3204158690C147789679 @default.
• W3204158690 hasConceptScore W3204158690C161790260 @default.
• W3204158690 hasConceptScore W3204158690C172404476 @default.
• W3204158690 hasConceptScore W3204158690C17525397 @default.
• W3204158690 hasConceptScore W3204158690C178790620 @default.
• W3204158690 hasConceptScore W3204158690C179104552 @default.
• W3204158690 hasConceptScore W3204158690C184651966 @default.
• W3204158690 hasConceptScore W3204158690C185592680 @default.

• next