Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387599679> ?p ?o ?g. }
- W4387599679 abstract "Iron-nitrogen-carbon single atom catalyst (SAC) is regarded as one of the promising electrocatalysts for NO3- reduction reaction (NO3 RR) to NH3 due to its high activity and selectivity. However, synergistic effects of topological defects and FeN4 active moiety in Fe-N-C SAC have rarely been investigated. By performing density functional theory (DFT) calculations, 13 defective graphene FeN4 with 585, 484, and 5775 topological line defects are constructed, yielding 585-68-FeN4 with optimal NO3 RR catalytic activity, high selectivity, as well as robust anti-dissolution stability. The high NO3 RR activity on 585-68-FeN4 is well explained by the high valence state of Fe center as well as asymmetric charge distribution on FeN4 moiety influenced by 5- and 8-member rings. This DFT work provides theoretical guidance for engineering NO3 RR performance of iron-nitrogen-carbon catalysts by modulating periodic topological defects." @default.
- W4387599679 created "2023-10-14" @default.
- W4387599679 creator A5002848694 @default.
- W4387599679 creator A5004871507 @default.
- W4387599679 creator A5013121247 @default.
- W4387599679 creator A5065434610 @default.
- W4387599679 creator A5072623289 @default.
- W4387599679 date "2023-10-12" @default.
- W4387599679 modified "2023-10-14" @default.
- W4387599679 title "Periodic Defect Engineering of Iron–Nitrogen–Carbon Catalysts for Nitrate Electroreduction to Ammonia" @default.
- W4387599679 cites W1969255268 @default.
- W4387599679 cites W1970127494 @default.
- W4387599679 cites W1979544533 @default.
- W4387599679 cites W1981368803 @default.
- W4387599679 cites W2000500972 @default.
- W4387599679 cites W2007328737 @default.
- W4387599679 cites W2007395042 @default.
- W4387599679 cites W2017120884 @default.
- W4387599679 cites W2022987012 @default.
- W4387599679 cites W2036113194 @default.
- W4387599679 cites W2083222334 @default.
- W4387599679 cites W2092157292 @default.
- W4387599679 cites W2128102324 @default.
- W4387599679 cites W2165376708 @default.
- W4387599679 cites W2263166478 @default.
- W4387599679 cites W2315213751 @default.
- W4387599679 cites W2329942094 @default.
- W4387599679 cites W2519154941 @default.
- W4387599679 cites W2556334122 @default.
- W4387599679 cites W2767966656 @default.
- W4387599679 cites W2785307491 @default.
- W4387599679 cites W2803724286 @default.
- W4387599679 cites W2803729875 @default.
- W4387599679 cites W2803847407 @default.
- W4387599679 cites W2851584547 @default.
- W4387599679 cites W2914737237 @default.
- W4387599679 cites W2918137318 @default.
- W4387599679 cites W2920912088 @default.
- W4387599679 cites W2945223387 @default.
- W4387599679 cites W2953366342 @default.
- W4387599679 cites W2955147122 @default.
- W4387599679 cites W2996101183 @default.
- W4387599679 cites W3001919290 @default.
- W4387599679 cites W3043525492 @default.
- W4387599679 cites W3101544822 @default.
- W4387599679 cites W3110545963 @default.
- W4387599679 cites W3113678415 @default.
- W4387599679 cites W3123851176 @default.
- W4387599679 cites W3126070539 @default.
- W4387599679 cites W3130049165 @default.
- W4387599679 cites W3156836331 @default.
- W4387599679 cites W3160702750 @default.
- W4387599679 cites W3206606417 @default.
- W4387599679 cites W4210842977 @default.
- W4387599679 cites W4285112235 @default.
- W4387599679 cites W4289546508 @default.
- W4387599679 cites W4293329250 @default.
- W4387599679 doi "https://doi.org/10.1002/smll.202307315" @default.
- W4387599679 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37828238" @default.
- W4387599679 hasPublicationYear "2023" @default.
- W4387599679 type Work @default.
- W4387599679 citedByCount "0" @default.
- W4387599679 crossrefType "journal-article" @default.
- W4387599679 hasAuthorship W4387599679A5002848694 @default.
- W4387599679 hasAuthorship W4387599679A5004871507 @default.
- W4387599679 hasAuthorship W4387599679A5013121247 @default.
- W4387599679 hasAuthorship W4387599679A5065434610 @default.
- W4387599679 hasAuthorship W4387599679A5072623289 @default.
- W4387599679 hasBestOaLocation W43875996791 @default.
- W4387599679 hasConcept C104779481 @default.
- W4387599679 hasConcept C114614502 @default.
- W4387599679 hasConcept C118792377 @default.
- W4387599679 hasConcept C140205800 @default.
- W4387599679 hasConcept C147597530 @default.
- W4387599679 hasConcept C147789679 @default.
- W4387599679 hasConcept C152365726 @default.
- W4387599679 hasConcept C159985019 @default.
- W4387599679 hasConcept C161790260 @default.
- W4387599679 hasConcept C168900304 @default.
- W4387599679 hasConcept C171250308 @default.
- W4387599679 hasConcept C178790620 @default.
- W4387599679 hasConcept C179104552 @default.
- W4387599679 hasConcept C184720557 @default.
- W4387599679 hasConcept C185592680 @default.
- W4387599679 hasConcept C192562407 @default.
- W4387599679 hasConcept C2776568683 @default.
- W4387599679 hasConcept C2781311116 @default.
- W4387599679 hasConcept C2993420144 @default.
- W4387599679 hasConcept C30080830 @default.
- W4387599679 hasConcept C33923547 @default.
- W4387599679 hasConcept C537208039 @default.
- W4387599679 hasConcept C71240020 @default.
- W4387599679 hasConcept C88380143 @default.
- W4387599679 hasConceptScore W4387599679C104779481 @default.
- W4387599679 hasConceptScore W4387599679C114614502 @default.
- W4387599679 hasConceptScore W4387599679C118792377 @default.
- W4387599679 hasConceptScore W4387599679C140205800 @default.
- W4387599679 hasConceptScore W4387599679C147597530 @default.
- W4387599679 hasConceptScore W4387599679C147789679 @default.
- W4387599679 hasConceptScore W4387599679C152365726 @default.