FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4306173818> ?p ?o ?g. }

• W4306173818 endingPage "108779" @default.
• W4306173818 startingPage "108779" @default.
• W4306173818 abstract "Metal-organic frameworks (MOFs) have great potential for the capture of volatile iodine. The effect of a precise regulation of active sites in JLNU-4 (MOFs) on capture of iodine was investigated by Monte Carlo (MC) method and molecular dynamics (MD), and it was found that the larger the Zn/Cd atomic ratio, the better the iodine capture. Interestingly, compared with the meta-position regulation of Zn/Cd, the ortho-positions regulation increased the free volume of the crystal and enhanced the interactions between Cd and O with I, thus improving the capture capacity of iodine. The first-principles study revealed the charge transfer of each atom in MOFs crystal with I 2 during iodine capture and the secondary bonds with weak covalent interactions were all formed after I 2 adsorption onto MOFs. These findings provide a reference for the capture of radioactive iodine and a theoretical basis for the strategies for precise regulation of MOFs in the future. • By investigating the effects of different ratios and positions of the central metals of MOFs on iodine capture, a strategy for precise regulation of active sites in bimetallic MOFs was formed. • Compared with the meta-position of Zn/Cd atoms in MOFs, the ortho-positions regulation improved the free volume of the crystal by 0.82% and the interactions between Cd and O with I increased, thus improving the capture capacity of iodine. • MOFs have strong host-guest charge transfer and stronger interactions between the metal atoms and I 2 compared to the non-metal atoms. • The secondary bonds with weak covalent interactions are all formed after I 2 adsorption onto MOFs." @default.
• W4306173818 created "2022-10-14" @default.
• W4306173818 creator A5049375543 @default.
• W4306173818 creator A5056538168 @default.
• W4306173818 creator A5063894760 @default.
• W4306173818 creator A5087948544 @default.
• W4306173818 date "2022-12-01" @default.
• W4306173818 modified "2023-09-27" @default.
• W4306173818 title "Precise regulation of active sites of MOFs for capture of iodine" @default.
• W4306173818 cites W2074815961 @default.
• W4306173818 cites W2076813061 @default.
• W4306173818 cites W2084848272 @default.
• W4306173818 cites W2120038047 @default.
• W4306173818 cites W2171589483 @default.
• W4306173818 cites W2183125105 @default.
• W4306173818 cites W2289077693 @default.
• W4306173818 cites W2316505045 @default.
• W4306173818 cites W2408175725 @default.
• W4306173818 cites W2544484598 @default.
• W4306173818 cites W2589497016 @default.
• W4306173818 cites W2605095048 @default.
• W4306173818 cites W2765640374 @default.
• W4306173818 cites W2781805626 @default.
• W4306173818 cites W2885579027 @default.
• W4306173818 cites W2898404933 @default.
• W4306173818 cites W2902844124 @default.
• W4306173818 cites W2909972830 @default.
• W4306173818 cites W2937041976 @default.
• W4306173818 cites W2964197085 @default.
• W4306173818 cites W2984577917 @default.
• W4306173818 cites W2989108371 @default.
• W4306173818 cites W3001604751 @default.
• W4306173818 cites W3014551243 @default.
• W4306173818 cites W3040766709 @default.
• W4306173818 cites W3043721883 @default.
• W4306173818 cites W3080520640 @default.
• W4306173818 cites W3086752959 @default.
• W4306173818 cites W3087804854 @default.
• W4306173818 cites W3106651119 @default.
• W4306173818 cites W3134290270 @default.
• W4306173818 cites W3135767632 @default.
• W4306173818 cites W3149155401 @default.
• W4306173818 cites W3165471581 @default.
• W4306173818 cites W3166783157 @default.
• W4306173818 cites W3194940076 @default.
• W4306173818 cites W3202768533 @default.
• W4306173818 cites W3204436857 @default.
• W4306173818 cites W4200391568 @default.
• W4306173818 cites W4200591124 @default.
• W4306173818 cites W4206241697 @default.
• W4306173818 cites W4206916892 @default.
• W4306173818 cites W4214709475 @default.
• W4306173818 cites W4241400422 @default.
• W4306173818 cites W4284975771 @default.
• W4306173818 cites W4289705178 @default.
• W4306173818 doi "https://doi.org/10.1016/j.jece.2022.108779" @default.
• W4306173818 hasPublicationYear "2022" @default.
• W4306173818 type Work @default.
• W4306173818 citedByCount "5" @default.
• W4306173818 countsByYear W43061738182023 @default.
• W4306173818 crossrefType "journal-article" @default.
• W4306173818 hasAuthorship W4306173818A5049375543 @default.
• W4306173818 hasAuthorship W4306173818A5056538168 @default.
• W4306173818 hasAuthorship W4306173818A5063894760 @default.
• W4306173818 hasAuthorship W4306173818A5087948544 @default.
• W4306173818 hasBestOaLocation W43061738182 @default.
• W4306173818 hasConcept C178790620 @default.
• W4306173818 hasConcept C185592680 @default.
• W4306173818 hasConcept C539932907 @default.
• W4306173818 hasConceptScore W4306173818C178790620 @default.
• W4306173818 hasConceptScore W4306173818C185592680 @default.
• W4306173818 hasConceptScore W4306173818C539932907 @default.
• W4306173818 hasFunder F4320321630 @default.
• W4306173818 hasIssue "6" @default.
• W4306173818 hasLocation W43061738181 @default.
• W4306173818 hasLocation W43061738182 @default.
• W4306173818 hasOpenAccess W4306173818 @default.
• W4306173818 hasPrimaryLocation W43061738181 @default.
• W4306173818 hasRelatedWork W1977720555 @default.
• W4306173818 hasRelatedWork W1990293750 @default.
• W4306173818 hasRelatedWork W2032528429 @default.
• W4306173818 hasRelatedWork W2044831032 @default.
• W4306173818 hasRelatedWork W2104754220 @default.
• W4306173818 hasRelatedWork W2110021684 @default.
• W4306173818 hasRelatedWork W2332518268 @default.
• W4306173818 hasRelatedWork W2950954154 @default.
• W4306173818 hasRelatedWork W2953073410 @default.
• W4306173818 hasRelatedWork W4288768699 @default.
• W4306173818 hasVolume "10" @default.
• W4306173818 isParatext "false" @default.
• W4306173818 isRetracted "false" @default.
• W4306173818 workType "article" @default.