Matches in SemOpenAlex for { <https://semopenalex.org/work/W2970291568> ?p ?o ?g. }
- W2970291568 endingPage "122105" @default.
- W2970291568 startingPage "122105" @default.
- W2970291568 abstract "The electromagnetic sensing capabilities of MOF-74 in the presence of NO molecule studied using the PB-DFT method. The calculations suggested that the substitution of metals including coordinatively unsaturated d-orbitals in the cluster part of MOFs could form a chemical bond with NO. Both the binding energy and spin density of atomic orbitals of Ti including a vacant d-orbital significantly varied when meeting unpaired electrons, which could be observed in PDOS of dz2. It can be concluded that finding magnetic properties via certain numerical calculations may be useful for designing Ti-MOF-74-based gas sensors." @default.
- W2970291568 created "2019-09-05" @default.
- W2970291568 creator A5002273485 @default.
- W2970291568 creator A5004263416 @default.
- W2970291568 creator A5005753452 @default.
- W2970291568 creator A5040424125 @default.
- W2970291568 creator A5057564149 @default.
- W2970291568 creator A5081978106 @default.
- W2970291568 creator A5082707858 @default.
- W2970291568 date "2020-01-01" @default.
- W2970291568 modified "2023-09-27" @default.
- W2970291568 title "A DFT screening of magnetic sensing-based adsorption of NO by M-MOF-74 (M= Mg, Ti, Fe and Zn)" @default.
- W2970291568 cites W1943260052 @default.
- W2970291568 cites W1963955777 @default.
- W2970291568 cites W1969471584 @default.
- W2970291568 cites W1978953666 @default.
- W2970291568 cites W1981368803 @default.
- W2970291568 cites W1992552403 @default.
- W2970291568 cites W1997808601 @default.
- W2970291568 cites W2015762944 @default.
- W2970291568 cites W2018446898 @default.
- W2970291568 cites W2036375292 @default.
- W2970291568 cites W2045596260 @default.
- W2970291568 cites W2052342916 @default.
- W2970291568 cites W2066966625 @default.
- W2970291568 cites W2077210166 @default.
- W2970291568 cites W2077638740 @default.
- W2970291568 cites W2087730634 @default.
- W2970291568 cites W2090264019 @default.
- W2970291568 cites W2093375822 @default.
- W2970291568 cites W2096495646 @default.
- W2970291568 cites W2104198521 @default.
- W2970291568 cites W2119452778 @default.
- W2970291568 cites W2141704677 @default.
- W2970291568 cites W2148941593 @default.
- W2970291568 cites W2160296375 @default.
- W2970291568 cites W2161329382 @default.
- W2970291568 cites W2318306843 @default.
- W2970291568 cites W2320854548 @default.
- W2970291568 cites W2331423405 @default.
- W2970291568 cites W2335638663 @default.
- W2970291568 cites W2416107568 @default.
- W2970291568 cites W2566205282 @default.
- W2970291568 cites W2584735040 @default.
- W2970291568 cites W2587617216 @default.
- W2970291568 cites W2606211847 @default.
- W2970291568 cites W2738800313 @default.
- W2970291568 cites W2740723857 @default.
- W2970291568 cites W2762519070 @default.
- W2970291568 cites W2768693183 @default.
- W2970291568 cites W3105670142 @default.
- W2970291568 cites W3106415266 @default.
- W2970291568 cites W4251214438 @default.
- W2970291568 cites W4375905818 @default.
- W2970291568 cites W632453398 @default.
- W2970291568 cites W842446195 @default.
- W2970291568 cites W91239664 @default.
- W2970291568 doi "https://doi.org/10.1016/j.matchemphys.2019.122105" @default.
- W2970291568 hasPublicationYear "2020" @default.
- W2970291568 type Work @default.
- W2970291568 sameAs 2970291568 @default.
- W2970291568 citedByCount "6" @default.
- W2970291568 countsByYear W29702915682020 @default.
- W2970291568 countsByYear W29702915682022 @default.
- W2970291568 countsByYear W29702915682023 @default.
- W2970291568 crossrefType "journal-article" @default.
- W2970291568 hasAuthorship W2970291568A5002273485 @default.
- W2970291568 hasAuthorship W2970291568A5004263416 @default.
- W2970291568 hasAuthorship W2970291568A5005753452 @default.
- W2970291568 hasAuthorship W2970291568A5040424125 @default.
- W2970291568 hasAuthorship W2970291568A5057564149 @default.
- W2970291568 hasAuthorship W2970291568A5081978106 @default.
- W2970291568 hasAuthorship W2970291568A5082707858 @default.
- W2970291568 hasConcept C106773901 @default.
- W2970291568 hasConcept C121332964 @default.
- W2970291568 hasConcept C137969499 @default.
- W2970291568 hasConcept C139358910 @default.
- W2970291568 hasConcept C147120987 @default.
- W2970291568 hasConcept C147597530 @default.
- W2970291568 hasConcept C147789679 @default.
- W2970291568 hasConcept C150394285 @default.
- W2970291568 hasConcept C152365726 @default.
- W2970291568 hasConcept C159467904 @default.
- W2970291568 hasConcept C161790260 @default.
- W2970291568 hasConcept C164866538 @default.
- W2970291568 hasConcept C178213299 @default.
- W2970291568 hasConcept C178790620 @default.
- W2970291568 hasConcept C184779094 @default.
- W2970291568 hasConcept C185592680 @default.
- W2970291568 hasConcept C186927785 @default.
- W2970291568 hasConcept C189394030 @default.
- W2970291568 hasConcept C192562407 @default.
- W2970291568 hasConcept C193772553 @default.
- W2970291568 hasConcept C199360897 @default.
- W2970291568 hasConcept C32909587 @default.
- W2970291568 hasConcept C41008148 @default.
- W2970291568 hasConcept C62520636 @default.
- W2970291568 hasConcept C93282013 @default.