FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4319839342> ?p ?o ?g. }

• W4319839342 abstract "Abstract CO 2 reduction is typically performed at neutral pH. Under these conditions CO 2 is in equilibrium with H 2 CO 3 , HCO 3 − and CO 3 2− . However, despite their presence so far most studies solely focus on the contribution of CO 2 while carbonate species as alternative reactants are generally neglected. Using density functional theory (DFT) modelling we explore the possible contribution of these carbonate species to the overall CO 2 reduction activity for a Fe porphyrin model catalyst. Considering only reaction Gibbs free energies, we find the reduction of carbonic acid (H 2 CO 3 ), bicarbonate (HCO 3 − ) and CO 2 to be equally likely. However, owing to a very high activation barrier for the initial adsorption of CO 2 onto the catalyst, bicarbonate and carbonic acid reduction are found to be several orders of magnitude faster. These data are used to model the pH dependence of the reaction rates of the different reactants. These results confirm that carbonic acid and bicarbonate are the most likely reactants independent of the pH and reactor setup." @default.
• W4319839342 created "2023-02-11" @default.
• W4319839342 creator A5037582572 @default.
• W4319839342 creator A5055853796 @default.
• W4319839342 creator A5061070438 @default.
• W4319839342 creator A5074326879 @default.
• W4319839342 date "2023-02-17" @default.
• W4319839342 modified "2023-09-30" @default.
• W4319839342 title "CO₂ or Carbonates – What is the Active Species in Electrochemical CO₂ Reduction over Fe‐Porphyrin?" @default.
• W4319839342 cites W1979134117 @default.
• W4319839342 cites W1988091937 @default.
• W4319839342 cites W1991875011 @default.
• W4319839342 cites W2001258368 @default.
• W4319839342 cites W2007040030 @default.
• W4319839342 cites W2011215428 @default.
• W4319839342 cites W2017360381 @default.
• W4319839342 cites W2027752423 @default.
• W4319839342 cites W2035240561 @default.
• W4319839342 cites W2063404506 @default.
• W4319839342 cites W2085336624 @default.
• W4319839342 cites W2126688530 @default.
• W4319839342 cites W2140272697 @default.
• W4319839342 cites W2146546128 @default.
• W4319839342 cites W2150697053 @default.
• W4319839342 cites W2155563668 @default.
• W4319839342 cites W2256937915 @default.
• W4319839342 cites W2313831210 @default.
• W4319839342 cites W2317028411 @default.
• W4319839342 cites W2339805231 @default.
• W4319839342 cites W2556307817 @default.
• W4319839342 cites W2588520044 @default.
• W4319839342 cites W2670129164 @default.
• W4319839342 cites W2725648806 @default.
• W4319839342 cites W2747030391 @default.
• W4319839342 cites W2761329828 @default.
• W4319839342 cites W2767138048 @default.
• W4319839342 cites W2767281273 @default.
• W4319839342 cites W2782153387 @default.
• W4319839342 cites W2782879485 @default.
• W4319839342 cites W2784179142 @default.
• W4319839342 cites W2789921448 @default.
• W4319839342 cites W2790797644 @default.
• W4319839342 cites W2794350593 @default.
• W4319839342 cites W2795259398 @default.
• W4319839342 cites W2797833392 @default.
• W4319839342 cites W2800782826 @default.
• W4319839342 cites W2804972102 @default.
• W4319839342 cites W2811131805 @default.
• W4319839342 cites W2883032287 @default.
• W4319839342 cites W2888323876 @default.
• W4319839342 cites W2895819610 @default.
• W4319839342 cites W2900073087 @default.
• W4319839342 cites W2900458856 @default.
• W4319839342 cites W2923854447 @default.
• W4319839342 cites W2940090343 @default.
• W4319839342 cites W2941803205 @default.
• W4319839342 cites W2945147106 @default.
• W4319839342 cites W2947264857 @default.
• W4319839342 cites W2953316844 @default.
• W4319839342 cites W2964386462 @default.
• W4319839342 cites W2964905488 @default.
• W4319839342 cites W2969789134 @default.
• W4319839342 cites W2973553761 @default.
• W4319839342 cites W2978954877 @default.
• W4319839342 cites W2979914386 @default.
• W4319839342 cites W2994454543 @default.
• W4319839342 cites W2996728040 @default.
• W4319839342 cites W2999791549 @default.
• W4319839342 cites W3005814135 @default.
• W4319839342 cites W3008031353 @default.
• W4319839342 cites W3010214862 @default.
• W4319839342 cites W3013282464 @default.
• W4319839342 cites W3022163912 @default.
• W4319839342 cites W3046127587 @default.
• W4319839342 cites W3049389263 @default.
• W4319839342 cites W3094519194 @default.
• W4319839342 cites W3119774682 @default.
• W4319839342 cites W3133158348 @default.
• W4319839342 cites W3133324011 @default.
• W4319839342 cites W3134752784 @default.
• W4319839342 cites W3139228927 @default.
• W4319839342 cites W3157407148 @default.
• W4319839342 cites W3160431527 @default.
• W4319839342 cites W3162250594 @default.
• W4319839342 cites W3166134242 @default.
• W4319839342 cites W3176539086 @default.
• W4319839342 cites W3187460852 @default.
• W4319839342 cites W3188911119 @default.
• W4319839342 cites W3193422571 @default.
• W4319839342 cites W4200057694 @default.
• W4319839342 cites W4231027982 @default.
• W4319839342 cites W4232100914 @default.
• W4319839342 cites W4282921053 @default.
• W4319839342 cites W652280517 @default.
• W4319839342 doi "https://doi.org/10.1002/cctc.202201671" @default.
• W4319839342 hasPublicationYear "2023" @default.
• W4319839342 type Work @default.
• W4319839342 citedByCount "2" @default.
• W4319839342 countsByYear W43198393422023 @default.
• W4319839342 crossrefType "journal-article" @default.

• next