Matches in SemOpenAlex for { <https://semopenalex.org/work/W4293493789> ?p ?o ?g. }
- W4293493789 abstract "Electrocatalytic nitrogen reduction reaction (eNRR) is a new method for sustainable NH3 production, which has attracted much attention in recent years. However, the low Faradaic efficiency due to the competitive hydrogen evolution reaction (HER) and inert N≡N triple bond activation hinders its practical application. To find highly efficient electrocatalysts with excellent activity, stability and selectivity, we have studied a series of transition metal dimers (TM2) loaded on poly triazine imide, (PTI) a crystalline carbon nitride, by density functional theory calculations. The results show that most of the metal dimers have good stability. Finally, among 26 homonuclear diatomic catalysts, Mo2@PTI, Re2@PTI, and Pt2@PTI exhibit strong capability for suppressing HER, with a favorable limiting potential of -0.53, -0.36, and -0.63 V, respectively, and hence, can be used as efficient electrocatalysts for NRR. In this study, a homonuclear diatomic eNRR catalyst was designed and screened to provide not only a theoretical basis for the experiments but also an alternative approach for sustainable synthesis of ammonia." @default.
- W4293493789 created "2022-08-29" @default.
- W4293493789 creator A5000790744 @default.
- W4293493789 creator A5005302584 @default.
- W4293493789 creator A5008687080 @default.
- W4293493789 creator A5064842058 @default.
- W4293493789 creator A5065597033 @default.
- W4293493789 creator A5068218842 @default.
- W4293493789 date "2022-09-20" @default.
- W4293493789 modified "2023-10-14" @default.
- W4293493789 title "Nitrogen reduction on crystalline carbon nitride supported by homonuclear bimetallic atoms" @default.
- W4293493789 cites W1970127494 @default.
- W4293493789 cites W2048255466 @default.
- W4293493789 cites W2060023027 @default.
- W4293493789 cites W2117059246 @default.
- W4293493789 cites W2148707525 @default.
- W4293493789 cites W2330946155 @default.
- W4293493789 cites W2460396937 @default.
- W4293493789 cites W2744886316 @default.
- W4293493789 cites W2765469889 @default.
- W4293493789 cites W2788213189 @default.
- W4293493789 cites W2803427589 @default.
- W4293493789 cites W2804972102 @default.
- W4293493789 cites W2809925599 @default.
- W4293493789 cites W2809986560 @default.
- W4293493789 cites W2811211297 @default.
- W4293493789 cites W2887542968 @default.
- W4293493789 cites W2890514702 @default.
- W4293493789 cites W2894988700 @default.
- W4293493789 cites W2901326576 @default.
- W4293493789 cites W2904144306 @default.
- W4293493789 cites W2905180025 @default.
- W4293493789 cites W2914493197 @default.
- W4293493789 cites W2947517642 @default.
- W4293493789 cites W2964028581 @default.
- W4293493789 cites W2974035077 @default.
- W4293493789 cites W2981833741 @default.
- W4293493789 cites W2982659300 @default.
- W4293493789 cites W2991978173 @default.
- W4293493789 cites W3003612706 @default.
- W4293493789 cites W3007099140 @default.
- W4293493789 cites W3008502763 @default.
- W4293493789 cites W3009595082 @default.
- W4293493789 cites W3015290904 @default.
- W4293493789 cites W3018422399 @default.
- W4293493789 cites W3022499751 @default.
- W4293493789 cites W3023331461 @default.
- W4293493789 cites W3023466813 @default.
- W4293493789 cites W3036945123 @default.
- W4293493789 cites W3037077157 @default.
- W4293493789 cites W3080479939 @default.
- W4293493789 cites W3087596111 @default.
- W4293493789 cites W3089246099 @default.
- W4293493789 cites W3092407917 @default.
- W4293493789 cites W3106025834 @default.
- W4293493789 cites W3132688281 @default.
- W4293493789 cites W3134829696 @default.
- W4293493789 cites W3138369008 @default.
- W4293493789 cites W3176547731 @default.
- W4293493789 cites W3185034640 @default.
- W4293493789 cites W3186330359 @default.
- W4293493789 cites W3213371386 @default.
- W4293493789 cites W4206203220 @default.
- W4293493789 cites W4214666154 @default.
- W4293493789 cites W4220818765 @default.
- W4293493789 cites W4281254325 @default.
- W4293493789 doi "https://doi.org/10.1063/5.0107095" @default.
- W4293493789 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36137781" @default.
- W4293493789 hasPublicationYear "2022" @default.
- W4293493789 type Work @default.
- W4293493789 citedByCount "4" @default.
- W4293493789 countsByYear W42934937892022 @default.
- W4293493789 countsByYear W42934937892023 @default.
- W4293493789 crossrefType "journal-article" @default.
- W4293493789 hasAuthorship W4293493789A5000790744 @default.
- W4293493789 hasAuthorship W4293493789A5005302584 @default.
- W4293493789 hasAuthorship W4293493789A5008687080 @default.
- W4293493789 hasAuthorship W4293493789A5064842058 @default.
- W4293493789 hasAuthorship W4293493789A5065597033 @default.
- W4293493789 hasAuthorship W4293493789A5068218842 @default.
- W4293493789 hasConcept C106773901 @default.
- W4293493789 hasConcept C111806078 @default.
- W4293493789 hasConcept C147597530 @default.
- W4293493789 hasConcept C147789679 @default.
- W4293493789 hasConcept C152365726 @default.
- W4293493789 hasConcept C161790260 @default.
- W4293493789 hasConcept C171250308 @default.
- W4293493789 hasConcept C178790620 @default.
- W4293493789 hasConcept C179104552 @default.
- W4293493789 hasConcept C185592680 @default.
- W4293493789 hasConcept C192562407 @default.
- W4293493789 hasConcept C194760766 @default.
- W4293493789 hasConcept C2777492770 @default.
- W4293493789 hasConcept C2779227376 @default.
- W4293493789 hasConcept C32909587 @default.
- W4293493789 hasConcept C40447573 @default.
- W4293493789 hasConcept C43411465 @default.
- W4293493789 hasConcept C65165184 @default.
- W4293493789 hasConceptScore W4293493789C106773901 @default.
- W4293493789 hasConceptScore W4293493789C111806078 @default.