FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4294958666> ?p ?o ?g. }

• W4294958666 endingPage "130130" @default.
• W4294958666 startingPage "130130" @default.
• W4294958666 abstract "In this study, we investigated the electronic properties of fluorapatite (FAP) crystals containing Mg, Al, and Fe impurities using Density Functional Theory (DFT). We evaluated the influence of impurities on the wettability of FAP by substituting the Ca sites of the FAP (001) surface with the metal impurities or by adsorbing them onto the FAP (001) surface. DFT calculations showed that the FAP crystals containing Mg, Al, and Fe impurities exhibit new impurity energy levels. Bond Mulliken population analysis showed that the strength of hydrogen bonds improved in the case of Mg-doped FAP, thereby increasing the hydrophilicity of FAP. Moreover, in the cases of Al and Fe doping, the density of state (DOS) of FAP deviated from the Fermi energy level, reducing the hydrophilicity of FAP. Furthermore, when Mg, Al, and Fe impurities were adsorbed onto the FAP (001) surface, the electrons of the metal impurities were transferred to the O (surf) site of FAP and the DOS of FAP deviated from the Fermi level, which decreased the hydrophilicity of FAP. Therefore, this study lays a theoretical foundation for the influence mechanism of Mg, Al, and Fe impurities on the surface properties of FAP." @default.
• W4294958666 created "2022-09-08" @default.
• W4294958666 creator A5017587222 @default.
• W4294958666 creator A5020748598 @default.
• W4294958666 creator A5022995572 @default.
• W4294958666 creator A5064530138 @default.
• W4294958666 creator A5083265818 @default.
• W4294958666 date "2022-12-01" @default.
• W4294958666 modified "2023-09-27" @default.
• W4294958666 title "Effect of Mg, Al, and Fe impurities on the wettability of the fluorapatite (001) surface" @default.
• W4294958666 cites W1971856306 @default.
• W4294958666 cites W1988814686 @default.
• W4294958666 cites W1998768675 @default.
• W4294958666 cites W2001935586 @default.
• W4294958666 cites W2015788702 @default.
• W4294958666 cites W2016325227 @default.
• W4294958666 cites W2037033208 @default.
• W4294958666 cites W2048771592 @default.
• W4294958666 cites W2089844040 @default.
• W4294958666 cites W2092844806 @default.
• W4294958666 cites W2102203953 @default.
• W4294958666 cites W2113132118 @default.
• W4294958666 cites W2141108649 @default.
• W4294958666 cites W2284931956 @default.
• W4294958666 cites W2376718613 @default.
• W4294958666 cites W2494077791 @default.
• W4294958666 cites W2527262641 @default.
• W4294958666 cites W2549620048 @default.
• W4294958666 cites W2560411307 @default.
• W4294958666 cites W2625076974 @default.
• W4294958666 cites W2755175871 @default.
• W4294958666 cites W2760963505 @default.
• W4294958666 cites W2793229777 @default.
• W4294958666 cites W2887438350 @default.
• W4294958666 cites W2889213395 @default.
• W4294958666 cites W2912070616 @default.
• W4294958666 cites W3030144401 @default.
• W4294958666 cites W3169099101 @default.
• W4294958666 cites W3199988427 @default.
• W4294958666 doi "https://doi.org/10.1016/j.colsurfa.2022.130130" @default.
• W4294958666 hasPublicationYear "2022" @default.
• W4294958666 type Work @default.
• W4294958666 citedByCount "1" @default.
• W4294958666 countsByYear W42949586662023 @default.
• W4294958666 crossrefType "journal-article" @default.
• W4294958666 hasAuthorship W4294958666A5017587222 @default.
• W4294958666 hasAuthorship W4294958666A5020748598 @default.
• W4294958666 hasAuthorship W4294958666A5022995572 @default.
• W4294958666 hasAuthorship W4294958666A5064530138 @default.
• W4294958666 hasAuthorship W4294958666A5083265818 @default.
• W4294958666 hasConcept C121332964 @default.
• W4294958666 hasConcept C134514944 @default.
• W4294958666 hasConcept C147120987 @default.
• W4294958666 hasConcept C147597530 @default.
• W4294958666 hasConcept C147789679 @default.
• W4294958666 hasConcept C150394285 @default.
• W4294958666 hasConcept C152365726 @default.
• W4294958666 hasConcept C159985019 @default.
• W4294958666 hasConcept C178790620 @default.
• W4294958666 hasConcept C179104552 @default.
• W4294958666 hasConcept C185592680 @default.
• W4294958666 hasConcept C191952053 @default.
• W4294958666 hasConcept C192562407 @default.
• W4294958666 hasConcept C199289684 @default.
• W4294958666 hasConcept C2777746296 @default.
• W4294958666 hasConcept C2908647359 @default.
• W4294958666 hasConcept C3025077 @default.
• W4294958666 hasConcept C40636707 @default.
• W4294958666 hasConcept C49040817 @default.
• W4294958666 hasConcept C57863236 @default.
• W4294958666 hasConcept C62520636 @default.
• W4294958666 hasConcept C71924100 @default.
• W4294958666 hasConcept C71987851 @default.
• W4294958666 hasConcept C99454951 @default.
• W4294958666 hasConceptScore W4294958666C121332964 @default.
• W4294958666 hasConceptScore W4294958666C134514944 @default.
• W4294958666 hasConceptScore W4294958666C147120987 @default.
• W4294958666 hasConceptScore W4294958666C147597530 @default.
• W4294958666 hasConceptScore W4294958666C147789679 @default.
• W4294958666 hasConceptScore W4294958666C150394285 @default.
• W4294958666 hasConceptScore W4294958666C152365726 @default.
• W4294958666 hasConceptScore W4294958666C159985019 @default.
• W4294958666 hasConceptScore W4294958666C178790620 @default.
• W4294958666 hasConceptScore W4294958666C179104552 @default.
• W4294958666 hasConceptScore W4294958666C185592680 @default.
• W4294958666 hasConceptScore W4294958666C191952053 @default.
• W4294958666 hasConceptScore W4294958666C192562407 @default.
• W4294958666 hasConceptScore W4294958666C199289684 @default.
• W4294958666 hasConceptScore W4294958666C2777746296 @default.
• W4294958666 hasConceptScore W4294958666C2908647359 @default.
• W4294958666 hasConceptScore W4294958666C3025077 @default.
• W4294958666 hasConceptScore W4294958666C40636707 @default.
• W4294958666 hasConceptScore W4294958666C49040817 @default.
• W4294958666 hasConceptScore W4294958666C57863236 @default.
• W4294958666 hasConceptScore W4294958666C62520636 @default.
• W4294958666 hasConceptScore W4294958666C71924100 @default.
• W4294958666 hasConceptScore W4294958666C71987851 @default.
• W4294958666 hasConceptScore W4294958666C99454951 @default.

• next