FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4306179901> ?p ?o ?g. }

• W4306179901 endingPage "459" @default.
• W4306179901 startingPage "452" @default.
• W4306179901 abstract "Fluorine atoms doping was reported in experiment to reduce the band gap, improve the oxidation potential of hole, and polarize the electron distribution of polymeric carbon nitride (PCN). However, the relationships between different types of F doping and the roles of F doping in electronic and optical properties remain elusive. In this work, we investigate several F doping types in PCN and analyze their different roles in electronic and optical properties with the first-principles calculations. The results show that two stable and cooperative F doping types are found, one is to form the C (sp3)-F bond (Fcorner type), and the other is F atom replacing amino group –NH2 (FN3 type) forming covalent C-F bond. The Fcorner doping reduces the energy level of valence-band maximum (VBM), causes excited electron-hole distribution polarized, and increases the hole distribution on F atoms, which strengthens the capacity of photocatalytic oxidation and improves the electron-hole separation efficiency, while FN3 type doping plays the roles of reducing the bandgap and improving the light absorption. In addition, under the synergistic action of two types of F doping, the adsorption energy of toluene on F-codoped PCN is greatly enhanced, improving the ability of photocatalytic activation of toluene. Our work develops a new understanding of F doping and reveals the roles of different types of F doping, providing a rationale for designing and regulating more efficient photocatalysts and improving the properties of photocatalytic toluene oxidation." @default.
• W4306179901 created "2022-10-14" @default.
• W4306179901 creator A5032239683 @default.
• W4306179901 creator A5073575072 @default.
• W4306179901 creator A5086761727 @default.
• W4306179901 date "2023-01-01" @default.
• W4306179901 modified "2023-10-01" @default.
• W4306179901 title "Enhanced photocatalytic toluene oxidation performance induced by two types of cooperative fluorine doping in polymeric carbon nitride with the first-principles calculations" @default.
• W4306179901 cites W1970127494 @default.
• W4306179901 cites W1980396022 @default.
• W4306179901 cites W1995000974 @default.
• W4306179901 cites W2007395042 @default.
• W4306179901 cites W2026362444 @default.
• W4306179901 cites W2054730070 @default.
• W4306179901 cites W2058363175 @default.
• W4306179901 cites W2062049711 @default.
• W4306179901 cites W2070059498 @default.
• W4306179901 cites W2085121573 @default.
• W4306179901 cites W2092157292 @default.
• W4306179901 cites W2125243015 @default.
• W4306179901 cites W2129589243 @default.
• W4306179901 cites W2132525235 @default.
• W4306179901 cites W2150399639 @default.
• W4306179901 cites W2150697053 @default.
• W4306179901 cites W2292546454 @default.
• W4306179901 cites W2324460609 @default.
• W4306179901 cites W2551037843 @default.
• W4306179901 cites W2581125282 @default.
• W4306179901 cites W2586362552 @default.
• W4306179901 cites W2605927619 @default.
• W4306179901 cites W2769578101 @default.
• W4306179901 cites W2791864034 @default.
• W4306179901 cites W2795128027 @default.
• W4306179901 cites W2912140513 @default.
• W4306179901 cites W2921253451 @default.
• W4306179901 cites W2958718362 @default.
• W4306179901 cites W2995285003 @default.
• W4306179901 cites W3021578995 @default.
• W4306179901 cites W3036761060 @default.
• W4306179901 cites W3037150746 @default.
• W4306179901 cites W3042198391 @default.
• W4306179901 cites W3094673977 @default.
• W4306179901 cites W3101544822 @default.
• W4306179901 cites W3167847487 @default.
• W4306179901 cites W3197175007 @default.
• W4306179901 cites W3204036862 @default.
• W4306179901 cites W3215239961 @default.
• W4306179901 cites W4200351879 @default.
• W4306179901 cites W4206592281 @default.
• W4306179901 cites W4220830417 @default.
• W4306179901 cites W4288081408 @default.
• W4306179901 doi "https://doi.org/10.1016/j.jcis.2022.10.028" @default.
• W4306179901 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36334482" @default.
• W4306179901 hasPublicationYear "2023" @default.
• W4306179901 type Work @default.
• W4306179901 citedByCount "1" @default.
• W4306179901 countsByYear W43061799012023 @default.
• W4306179901 crossrefType "journal-article" @default.
• W4306179901 hasAuthorship W4306179901A5032239683 @default.
• W4306179901 hasAuthorship W4306179901A5073575072 @default.
• W4306179901 hasAuthorship W4306179901A5086761727 @default.
• W4306179901 hasConcept C147789679 @default.
• W4306179901 hasConcept C150394285 @default.
• W4306179901 hasConcept C159467904 @default.
• W4306179901 hasConcept C161790260 @default.
• W4306179901 hasConcept C178790620 @default.
• W4306179901 hasConcept C180577832 @default.
• W4306179901 hasConcept C181966813 @default.
• W4306179901 hasConcept C185592680 @default.
• W4306179901 hasConcept C191897082 @default.
• W4306179901 hasConcept C192562407 @default.
• W4306179901 hasConcept C2777492770 @default.
• W4306179901 hasConcept C2778142098 @default.
• W4306179901 hasConcept C49040817 @default.
• W4306179901 hasConcept C506198293 @default.
• W4306179901 hasConcept C57863236 @default.
• W4306179901 hasConcept C65165184 @default.
• W4306179901 hasConcept C75473681 @default.
• W4306179901 hasConceptScore W4306179901C147789679 @default.
• W4306179901 hasConceptScore W4306179901C150394285 @default.
• W4306179901 hasConceptScore W4306179901C159467904 @default.
• W4306179901 hasConceptScore W4306179901C161790260 @default.
• W4306179901 hasConceptScore W4306179901C178790620 @default.
• W4306179901 hasConceptScore W4306179901C180577832 @default.
• W4306179901 hasConceptScore W4306179901C181966813 @default.
• W4306179901 hasConceptScore W4306179901C185592680 @default.
• W4306179901 hasConceptScore W4306179901C191897082 @default.
• W4306179901 hasConceptScore W4306179901C192562407 @default.
• W4306179901 hasConceptScore W4306179901C2777492770 @default.
• W4306179901 hasConceptScore W4306179901C2778142098 @default.
• W4306179901 hasConceptScore W4306179901C49040817 @default.
• W4306179901 hasConceptScore W4306179901C506198293 @default.
• W4306179901 hasConceptScore W4306179901C57863236 @default.
• W4306179901 hasConceptScore W4306179901C65165184 @default.
• W4306179901 hasConceptScore W4306179901C75473681 @default.
• W4306179901 hasFunder F4320321001 @default.
• W4306179901 hasLocation W43061799011 @default.
• W4306179901 hasLocation W43061799012 @default.

• next