Matches in SemOpenAlex for { <https://semopenalex.org/work/W4308773058> ?p ?o ?g. }
- W4308773058 endingPage "52086" @default.
- W4308773058 startingPage "52079" @default.
- W4308773058 abstract "Single-atom catalysts (SACs) have drawn great attention in developing highly active and low-cost catalysts for electrocatalytic nitrogen reduction reaction (NRR) in ammonia synthesis, but the atomic metal centers are mainly limited to transition metals. Here, four stable alkaline-earth-metal (AEM)-based SACs are proposed by anchoring AEM on nitrogen-doped graphene nanoribbons, based on first-principles calculations. All SACs exhibit excellent NRR performance with competitive limiting potentials compared to stepped Ru (0001), and Ca-based SAC achieves optimal activity with a potential of −0.716 V. It is revealed that the low oxidation state of AEM is crucial for the activation of N2 through an acceptance–backdonation mechanism. The antibonding 2π* orbital of N2 can accept residual s electrons of low-valent AEM and backdonate electrons to the empty d orbitals of AEM, resulting in activation of N2 molecules. In particular, the activation degree of N2 and NRR activity is linearly associated with the charge states of AEMs. Our work reveals the underlying mechanism of AEMs for N2 activation and reduction and presents the potential of AEM SACs as efficient electrochemical NRR catalysts." @default.
- W4308773058 created "2022-11-15" @default.
- W4308773058 creator A5021767311 @default.
- W4308773058 creator A5031806493 @default.
- W4308773058 creator A5076707820 @default.
- W4308773058 date "2022-11-10" @default.
- W4308773058 modified "2023-10-16" @default.
- W4308773058 title "Single-Atom Low-Valent Alkaline-Earth-Metal Catalysts for Electrochemical Nitrogen Reduction with an Acceptance–Backdonation Mechanism" @default.
- W4308773058 cites W1970127494 @default.
- W4308773058 cites W1979544533 @default.
- W4308773058 cites W1981368803 @default.
- W4308773058 cites W1984729923 @default.
- W4308773058 cites W2007395042 @default.
- W4308773058 cites W2020023668 @default.
- W4308773058 cites W2022085321 @default.
- W4308773058 cites W2036113194 @default.
- W4308773058 cites W2083222334 @default.
- W4308773058 cites W2096747776 @default.
- W4308773058 cites W2100929361 @default.
- W4308773058 cites W2282942319 @default.
- W4308773058 cites W2409147736 @default.
- W4308773058 cites W2782991110 @default.
- W4308773058 cites W2783700108 @default.
- W4308773058 cites W2788213189 @default.
- W4308773058 cites W2803438242 @default.
- W4308773058 cites W2809340748 @default.
- W4308773058 cites W2811211297 @default.
- W4308773058 cites W2895283837 @default.
- W4308773058 cites W2947517642 @default.
- W4308773058 cites W2994703672 @default.
- W4308773058 cites W3007099140 @default.
- W4308773058 cites W3008165181 @default.
- W4308773058 cites W3019531424 @default.
- W4308773058 cites W3030589897 @default.
- W4308773058 cites W3030614241 @default.
- W4308773058 cites W3035738108 @default.
- W4308773058 cites W3080479939 @default.
- W4308773058 cites W3090091975 @default.
- W4308773058 cites W3094777310 @default.
- W4308773058 cites W3111953670 @default.
- W4308773058 cites W3134016679 @default.
- W4308773058 cites W3143281614 @default.
- W4308773058 cites W3159851066 @default.
- W4308773058 cites W3179450601 @default.
- W4308773058 cites W3199032844 @default.
- W4308773058 cites W3205246733 @default.
- W4308773058 cites W3206777864 @default.
- W4308773058 cites W3216171536 @default.
- W4308773058 cites W4220728474 @default.
- W4308773058 cites W4225083752 @default.
- W4308773058 cites W4281399346 @default.
- W4308773058 cites W4284884043 @default.
- W4308773058 cites W566353445 @default.
- W4308773058 doi "https://doi.org/10.1021/acsami.2c18260" @default.
- W4308773058 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36356233" @default.
- W4308773058 hasPublicationYear "2022" @default.
- W4308773058 type Work @default.
- W4308773058 citedByCount "5" @default.
- W4308773058 countsByYear W43087730582023 @default.
- W4308773058 crossrefType "journal-article" @default.
- W4308773058 hasAuthorship W4308773058A5021767311 @default.
- W4308773058 hasAuthorship W4308773058A5031806493 @default.
- W4308773058 hasAuthorship W4308773058A5076707820 @default.
- W4308773058 hasConcept C106773901 @default.
- W4308773058 hasConcept C121332964 @default.
- W4308773058 hasConcept C147120987 @default.
- W4308773058 hasConcept C147789679 @default.
- W4308773058 hasConcept C161790260 @default.
- W4308773058 hasConcept C171250308 @default.
- W4308773058 hasConcept C17525397 @default.
- W4308773058 hasConcept C178790620 @default.
- W4308773058 hasConcept C179104552 @default.
- W4308773058 hasConcept C185592680 @default.
- W4308773058 hasConcept C189394030 @default.
- W4308773058 hasConcept C191897082 @default.
- W4308773058 hasConcept C192562407 @default.
- W4308773058 hasConcept C30080830 @default.
- W4308773058 hasConcept C52859227 @default.
- W4308773058 hasConcept C544153396 @default.
- W4308773058 hasConcept C55904794 @default.
- W4308773058 hasConcept C62520636 @default.
- W4308773058 hasConcept C75473681 @default.
- W4308773058 hasConcept C95269574 @default.
- W4308773058 hasConceptScore W4308773058C106773901 @default.
- W4308773058 hasConceptScore W4308773058C121332964 @default.
- W4308773058 hasConceptScore W4308773058C147120987 @default.
- W4308773058 hasConceptScore W4308773058C147789679 @default.
- W4308773058 hasConceptScore W4308773058C161790260 @default.
- W4308773058 hasConceptScore W4308773058C171250308 @default.
- W4308773058 hasConceptScore W4308773058C17525397 @default.
- W4308773058 hasConceptScore W4308773058C178790620 @default.
- W4308773058 hasConceptScore W4308773058C179104552 @default.
- W4308773058 hasConceptScore W4308773058C185592680 @default.
- W4308773058 hasConceptScore W4308773058C189394030 @default.
- W4308773058 hasConceptScore W4308773058C191897082 @default.
- W4308773058 hasConceptScore W4308773058C192562407 @default.
- W4308773058 hasConceptScore W4308773058C30080830 @default.
- W4308773058 hasConceptScore W4308773058C52859227 @default.