FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3085759380> ?p ?o ?g. }

• W3085759380 endingPage "2050031" @default.
• W3085759380 startingPage "2050031" @default.
• W3085759380 abstract "Due to the increasing demand of Al[Formula: see text]N[Formula: see text] in optoelectronics and sensing materials, we intended to investigate the adsorption behavior, electronic nature and NLO response of hydrogen and different metals decorated Al[Formula: see text]N[Formula: see text] nanocages. Different systems are designed by hydrogen adsorption and encapsulation of metals (Li, Na and K) in Al[Formula: see text]N[Formula: see text]. Density functional theory at B3LYP functional with conjunction of 6-31G([Formula: see text], [Formula: see text] basis set is utilized in order to gain optimized geometries. Different calculations including linear and first-order hyperpolarizability are conducted at same level of theory. Instead of chemiosorption, a phyisosorption phenomenon is seen in all hydrogen adsorbed metal encapsulated Al[Formula: see text]N[Formula: see text] nanoclusters. The [Formula: see text] analysis confirmed the charge separation in hydrogen adsorbed metal encapsulated nanocages. Molecular electrostatic potential (MEP) analysis cleared the different charge sites in all the systems. Similarly, frontier molecular orbitals analysis corroborated the charge densities shifting upon hydrogen adsorption on metal encapsulated AlN nanocages. HOMO–LUMO band gaps suggest effective use of H 2 -M-AlN in sensing materials. Global indices of reactivity also endorsed that all hydrogen adsorbed metal encapsulated systems are better materials than pure Al[Formula: see text]N[Formula: see text] nanocage for sensing applications. Lastly, linear and first hyperpolarizability of H 2 -M-AlN nanocages are found to be greater than M-AlN and pure AlN nanocages. Results of these parameters recommend metal encapsulated nanocages as efficient contributors for the applications in hydrogen sensing and optoelectronic devices." @default.
• W3085759380 created "2020-09-21" @default.
• W3085759380 creator A5003744367 @default.
• W3085759380 creator A5009303054 @default.
• W3085759380 creator A5016296361 @default.
• W3085759380 creator A5024263703 @default.
• W3085759380 creator A5028254909 @default.
• W3085759380 creator A5037474094 @default.
• W3085759380 creator A5040582281 @default.
• W3085759380 creator A5084519595 @default.
• W3085759380 creator A5086485116 @default.
• W3085759380 date "2020-10-07" @default.
• W3085759380 modified "2023-09-23" @default.
• W3085759380 title "Exploration of adsorption behavior, electronic nature and NLO response of hydrogen adsorbed Alkali metals (Li, Na and K) encapsulated Al12N12 nanocages" @default.
• W3085759380 cites W1753725738 @default.
• W3085759380 cites W1968327997 @default.
• W3085759380 cites W1970565169 @default.
• W3085759380 cites W1973438803 @default.
• W3085759380 cites W1978152664 @default.
• W3085759380 cites W1988715706 @default.
• W3085759380 cites W1989293511 @default.
• W3085759380 cites W1993450030 @default.
• W3085759380 cites W1994022196 @default.
• W3085759380 cites W1994453690 @default.
• W3085759380 cites W2010292056 @default.
• W3085759380 cites W2017553684 @default.
• W3085759380 cites W2018858346 @default.
• W3085759380 cites W2028974660 @default.
• W3085759380 cites W2039864454 @default.
• W3085759380 cites W2039900342 @default.
• W3085759380 cites W2047479177 @default.
• W3085759380 cites W2053403103 @default.
• W3085759380 cites W2054551180 @default.
• W3085759380 cites W2061555015 @default.
• W3085759380 cites W2062671963 @default.
• W3085759380 cites W2072125743 @default.
• W3085759380 cites W2081300400 @default.
• W3085759380 cites W2093587450 @default.
• W3085759380 cites W2130355785 @default.
• W3085759380 cites W2134720098 @default.
• W3085759380 cites W2151203412 @default.
• W3085759380 cites W2191204615 @default.
• W3085759380 cites W2276459177 @default.
• W3085759380 cites W2285315891 @default.
• W3085759380 cites W2307168155 @default.
• W3085759380 cites W2317353653 @default.
• W3085759380 cites W2344207540 @default.
• W3085759380 cites W2415127220 @default.
• W3085759380 cites W2438301168 @default.
• W3085759380 cites W2470623809 @default.
• W3085759380 cites W2471286516 @default.
• W3085759380 cites W2519185880 @default.
• W3085759380 cites W2600639713 @default.
• W3085759380 cites W2605354948 @default.
• W3085759380 cites W2793518605 @default.
• W3085759380 cites W2805236082 @default.
• W3085759380 cites W2950511010 @default.
• W3085759380 cites W2951669176 @default.
• W3085759380 cites W3013139183 @default.
• W3085759380 cites W3022559090 @default.
• W3085759380 cites W3025717319 @default.
• W3085759380 cites W3029220858 @default.
• W3085759380 cites W3036542270 @default.
• W3085759380 cites W3036559778 @default.
• W3085759380 cites W3038029973 @default.
• W3085759380 cites W3039689117 @default.
• W3085759380 cites W4231649355 @default.
• W3085759380 cites W4253540135 @default.
• W3085759380 doi "https://doi.org/10.1142/s0219633620500315" @default.
• W3085759380 hasPublicationYear "2020" @default.
• W3085759380 type Work @default.
• W3085759380 sameAs 3085759380 @default.
• W3085759380 citedByCount "35" @default.
• W3085759380 countsByYear W30857593802020 @default.
• W3085759380 countsByYear W30857593802021 @default.
• W3085759380 countsByYear W30857593802022 @default.
• W3085759380 countsByYear W30857593802023 @default.
• W3085759380 crossrefType "journal-article" @default.
• W3085759380 hasAuthorship W3085759380A5003744367 @default.
• W3085759380 hasAuthorship W3085759380A5009303054 @default.
• W3085759380 hasAuthorship W3085759380A5016296361 @default.
• W3085759380 hasAuthorship W3085759380A5024263703 @default.
• W3085759380 hasAuthorship W3085759380A5028254909 @default.
• W3085759380 hasAuthorship W3085759380A5037474094 @default.
• W3085759380 hasAuthorship W3085759380A5040582281 @default.
• W3085759380 hasAuthorship W3085759380A5084519595 @default.
• W3085759380 hasAuthorship W3085759380A5086485116 @default.
• W3085759380 hasConcept C128355301 @default.
• W3085759380 hasConcept C139287275 @default.
• W3085759380 hasConcept C147597530 @default.
• W3085759380 hasConcept C147789679 @default.
• W3085759380 hasConcept C150394285 @default.
• W3085759380 hasConcept C152365726 @default.
• W3085759380 hasConcept C161790260 @default.
• W3085759380 hasConcept C171250308 @default.
• W3085759380 hasConcept C178790620 @default.
• W3085759380 hasConcept C185592680 @default.
• W3085759380 hasConcept C192562407 @default.

• next