Matches in SemOpenAlex for { <https://semopenalex.org/work/W3089678370> ?p ?o ?g. }
- W3089678370 endingPage "147970" @default.
- W3089678370 startingPage "147970" @default.
- W3089678370 abstract "Density functional theory (DFT) has been employed to investigate the effect of magnetic moment on the hydrogen adsorption and gas-sensing properties in Mn-embedded in C2N. Special focus was given to the effects of both magnetization and dimerization on the adsorption properties. Two distinct configurations of embedment were considered: (i) Single atom catalyst (SAC): [email protected]2N; and (ii) Dimer atom Catalyst (DAC): Mn2@C2N. The results showed that the H2 molecule to exhibit chemisorption processes on both SAC and DAC with weak molecular dissociation. The effect of chemisorption on the electronic structure is so enormous to the extent that the DOS got fragmented near Fermi level with opening of small gaps of order 0.11 eV and 0.20 eV in SAC and DAC, respectively. Such changes would be manifested in enhanced sensor responses. Based upon the huge changes in electronic and magnetic properties induced by the chemisorption and the low recovery time (i.e., τ ≪ 1 s, τ = 92 μs and 1.8 ms, respectively), we concluded that C2N:Mn should be an excellent candidate for (reusable) hydrogen magnetic gas sensor with high sensitivity and selectivity and rapid recovery time. Our theoretical results were corroborated with good agreement with the available data in literature." @default.
- W3089678370 created "2020-10-08" @default.
- W3089678370 creator A5022389091 @default.
- W3089678370 creator A5051892437 @default.
- W3089678370 creator A5055719713 @default.
- W3089678370 date "2021-01-01" @default.
- W3089678370 modified "2023-10-14" @default.
- W3089678370 title "Magnetization effect of Mn-embedded in C2N on hydrogen adsorption and gas-sensing properties: Ab-initio analysis" @default.
- W3089678370 cites W1949231392 @default.
- W3089678370 cites W1979345035 @default.
- W3089678370 cites W1985585252 @default.
- W3089678370 cites W1990912241 @default.
- W3089678370 cites W1991859775 @default.
- W3089678370 cites W1993110089 @default.
- W3089678370 cites W1998062017 @default.
- W3089678370 cites W2002427687 @default.
- W3089678370 cites W2006318126 @default.
- W3089678370 cites W2014935324 @default.
- W3089678370 cites W2036113194 @default.
- W3089678370 cites W2046413565 @default.
- W3089678370 cites W2057936436 @default.
- W3089678370 cites W2058122340 @default.
- W3089678370 cites W2059370175 @default.
- W3089678370 cites W2074190083 @default.
- W3089678370 cites W2074684620 @default.
- W3089678370 cites W2075148335 @default.
- W3089678370 cites W2075618427 @default.
- W3089678370 cites W2088321686 @default.
- W3089678370 cites W2092157292 @default.
- W3089678370 cites W2105685140 @default.
- W3089678370 cites W2108102346 @default.
- W3089678370 cites W2121817924 @default.
- W3089678370 cites W2285979304 @default.
- W3089678370 cites W2322354531 @default.
- W3089678370 cites W2342600405 @default.
- W3089678370 cites W2345462337 @default.
- W3089678370 cites W2575711187 @default.
- W3089678370 cites W2621187981 @default.
- W3089678370 cites W2886233113 @default.
- W3089678370 cites W2888756827 @default.
- W3089678370 cites W2891068586 @default.
- W3089678370 cites W2891841798 @default.
- W3089678370 cites W2896519311 @default.
- W3089678370 cites W2905785344 @default.
- W3089678370 cites W2913883372 @default.
- W3089678370 cites W2944681437 @default.
- W3089678370 cites W2986201525 @default.
- W3089678370 cites W3004352145 @default.
- W3089678370 cites W3025347543 @default.
- W3089678370 cites W3026327090 @default.
- W3089678370 cites W4211172053 @default.
- W3089678370 doi "https://doi.org/10.1016/j.apsusc.2020.147970" @default.
- W3089678370 hasPublicationYear "2021" @default.
- W3089678370 type Work @default.
- W3089678370 sameAs 3089678370 @default.
- W3089678370 citedByCount "14" @default.
- W3089678370 countsByYear W30896783702021 @default.
- W3089678370 countsByYear W30896783702022 @default.
- W3089678370 countsByYear W30896783702023 @default.
- W3089678370 crossrefType "journal-article" @default.
- W3089678370 hasAuthorship W3089678370A5022389091 @default.
- W3089678370 hasAuthorship W3089678370A5051892437 @default.
- W3089678370 hasAuthorship W3089678370A5055719713 @default.
- W3089678370 hasConcept C102931765 @default.
- W3089678370 hasConcept C115260700 @default.
- W3089678370 hasConcept C121332964 @default.
- W3089678370 hasConcept C147120987 @default.
- W3089678370 hasConcept C147597530 @default.
- W3089678370 hasConcept C147789679 @default.
- W3089678370 hasConcept C150394285 @default.
- W3089678370 hasConcept C152365726 @default.
- W3089678370 hasConcept C161790260 @default.
- W3089678370 hasConcept C171250308 @default.
- W3089678370 hasConcept C178790620 @default.
- W3089678370 hasConcept C185592680 @default.
- W3089678370 hasConcept C192562407 @default.
- W3089678370 hasConcept C2778402822 @default.
- W3089678370 hasConcept C2781442258 @default.
- W3089678370 hasConcept C32546565 @default.
- W3089678370 hasConcept C33790079 @default.
- W3089678370 hasConcept C40636707 @default.
- W3089678370 hasConcept C512968161 @default.
- W3089678370 hasConcept C62520636 @default.
- W3089678370 hasConceptScore W3089678370C102931765 @default.
- W3089678370 hasConceptScore W3089678370C115260700 @default.
- W3089678370 hasConceptScore W3089678370C121332964 @default.
- W3089678370 hasConceptScore W3089678370C147120987 @default.
- W3089678370 hasConceptScore W3089678370C147597530 @default.
- W3089678370 hasConceptScore W3089678370C147789679 @default.
- W3089678370 hasConceptScore W3089678370C150394285 @default.
- W3089678370 hasConceptScore W3089678370C152365726 @default.
- W3089678370 hasConceptScore W3089678370C161790260 @default.
- W3089678370 hasConceptScore W3089678370C171250308 @default.
- W3089678370 hasConceptScore W3089678370C178790620 @default.
- W3089678370 hasConceptScore W3089678370C185592680 @default.
- W3089678370 hasConceptScore W3089678370C192562407 @default.
- W3089678370 hasConceptScore W3089678370C2778402822 @default.
- W3089678370 hasConceptScore W3089678370C2781442258 @default.