Matches in SemOpenAlex for { <https://semopenalex.org/work/W3196497629> ?p ?o ?g. }
- W3196497629 endingPage "127109" @default.
- W3196497629 startingPage "127109" @default.
- W3196497629 abstract "Activated alumina is the most common adsorbent for purifying fluoride in water, however, little is known so far about the adsorption mechanisms and comparison of adsorption behaviors for F on different crystal phase alumina surfaces, which seriously obstacles the development of high-performance sorbents. Herein, employing the density functional theory approach, we have studied F adsorbed on α-Al2O3(0001), γ-Al2O3(110), and θ-Al2O3(010) surfaces. Results accentuate that the θ-Al2O3 (010) is the most reactive than ɑ-Al2O3 (0001) and γ-Al2O3 (110) for F adsorption and the high reactivity is mainly attributed to the high unsaturation level of Al atoms. Detailly, the most stable adsorption sites are top of Al1 site, bridge of Al6 and adjacent Al atom, and bridge of AlⅢ atoms for α, γ, θ-alumina, respectively. The bonding picture shows that the bonding between F and alumina surface is attributed to the hybridization between F-p orbitals and Al-s,p orbitals. In addition, the alumina surfaces are hydroxylated with water molecules when exposing to the atmosphere, exhibiting a great impact on the performance of purifying F element. Results suggest that the hydroxylated θ-Al2O3 (010) adsorbs F with the smallest adsorption energy than other hydroxylated alumina surfaces, exhibiting the lowest performance of purifying F element." @default.
- W3196497629 created "2021-09-13" @default.
- W3196497629 creator A5017075514 @default.
- W3196497629 creator A5023549509 @default.
- W3196497629 creator A5045863929 @default.
- W3196497629 creator A5052109054 @default.
- W3196497629 creator A5058199519 @default.
- W3196497629 date "2022-02-01" @default.
- W3196497629 modified "2023-10-10" @default.
- W3196497629 title "Insights into the mechanism of fluoride adsorption over different crystal phase alumina surfaces" @default.
- W3196497629 cites W1147627131 @default.
- W3196497629 cites W185685093 @default.
- W3196497629 cites W1976491867 @default.
- W3196497629 cites W1977808398 @default.
- W3196497629 cites W1981368803 @default.
- W3196497629 cites W1986363951 @default.
- W3196497629 cites W1986855442 @default.
- W3196497629 cites W1988047487 @default.
- W3196497629 cites W1993748172 @default.
- W3196497629 cites W1995811993 @default.
- W3196497629 cites W1998223081 @default.
- W3196497629 cites W2001378060 @default.
- W3196497629 cites W2004726028 @default.
- W3196497629 cites W2006595335 @default.
- W3196497629 cites W2011933172 @default.
- W3196497629 cites W2020909402 @default.
- W3196497629 cites W2022777468 @default.
- W3196497629 cites W2024848311 @default.
- W3196497629 cites W2027059106 @default.
- W3196497629 cites W2028586947 @default.
- W3196497629 cites W2036113194 @default.
- W3196497629 cites W2036552203 @default.
- W3196497629 cites W2039124675 @default.
- W3196497629 cites W2040876929 @default.
- W3196497629 cites W2041858177 @default.
- W3196497629 cites W2044591029 @default.
- W3196497629 cites W2053611649 @default.
- W3196497629 cites W2054153185 @default.
- W3196497629 cites W2054704030 @default.
- W3196497629 cites W2059026731 @default.
- W3196497629 cites W2065248052 @default.
- W3196497629 cites W2074451812 @default.
- W3196497629 cites W2078596686 @default.
- W3196497629 cites W2079611381 @default.
- W3196497629 cites W2087499772 @default.
- W3196497629 cites W2087610531 @default.
- W3196497629 cites W2090322859 @default.
- W3196497629 cites W2095624398 @default.
- W3196497629 cites W2095999638 @default.
- W3196497629 cites W211086608 @default.
- W3196497629 cites W2124309448 @default.
- W3196497629 cites W2148599378 @default.
- W3196497629 cites W2157131857 @default.
- W3196497629 cites W2166244948 @default.
- W3196497629 cites W2302351902 @default.
- W3196497629 cites W2316937099 @default.
- W3196497629 cites W2318802624 @default.
- W3196497629 cites W2319278155 @default.
- W3196497629 cites W2319520825 @default.
- W3196497629 cites W2327985648 @default.
- W3196497629 cites W2331262756 @default.
- W3196497629 cites W2336505416 @default.
- W3196497629 cites W2345913010 @default.
- W3196497629 cites W2440992446 @default.
- W3196497629 cites W2582310832 @default.
- W3196497629 cites W2771324352 @default.
- W3196497629 cites W2794235605 @default.
- W3196497629 cites W2972513728 @default.
- W3196497629 cites W2981063500 @default.
- W3196497629 cites W3129146681 @default.
- W3196497629 doi "https://doi.org/10.1016/j.jhazmat.2021.127109" @default.
- W3196497629 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34517299" @default.
- W3196497629 hasPublicationYear "2022" @default.
- W3196497629 type Work @default.
- W3196497629 sameAs 3196497629 @default.
- W3196497629 citedByCount "12" @default.
- W3196497629 countsByYear W31964976292022 @default.
- W3196497629 countsByYear W31964976292023 @default.
- W3196497629 crossrefType "journal-article" @default.
- W3196497629 hasAuthorship W3196497629A5017075514 @default.
- W3196497629 hasAuthorship W3196497629A5023549509 @default.
- W3196497629 hasAuthorship W3196497629A5045863929 @default.
- W3196497629 hasAuthorship W3196497629A5052109054 @default.
- W3196497629 hasAuthorship W3196497629A5058199519 @default.
- W3196497629 hasConcept C142724271 @default.
- W3196497629 hasConcept C147597530 @default.
- W3196497629 hasConcept C147789679 @default.
- W3196497629 hasConcept C150394285 @default.
- W3196497629 hasConcept C152365726 @default.
- W3196497629 hasConcept C178790620 @default.
- W3196497629 hasConcept C179104552 @default.
- W3196497629 hasConcept C185592680 @default.
- W3196497629 hasConcept C192562407 @default.
- W3196497629 hasConcept C199360897 @default.
- W3196497629 hasConcept C201268389 @default.
- W3196497629 hasConcept C204787440 @default.
- W3196497629 hasConcept C2776910235 @default.
- W3196497629 hasConcept C2780828025 @default.