FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4285388611> ?p ?o ?g. }

• W4285388611 abstract "Graphynes are a class of all-carbon two-dimensional membranes that have been intensely researched for various membrane-based technologies on account of their unique pore architectures. Herein, we report an investigation of the mechanism and energetics of adsorption of noble gases (He, Ne and Ar) on graphdiyne (GDY), the most popular form of graphynes. Two global optimization techniques, namely particle swarm optimization (PSO) and differential evolution are employed to predict the putative global minima configurations of rare gas clusters in the size range 1-30 when adsorbed on GDY. We use the 12-6 Lennard-Jones potential to represent the pairwise non-covalent interactions between various interacting atoms. Initially, the gas atoms adsorb as monolayers on GDY at the centers of the triangular pores until all the triangular pores are filled. This is followed by a second layer formation on top of the hexagonal pore centers or on top of the C-C bonds. The findings from the empirical approach are further validated by performing density functional theory calculations on the predicted adsorbed cluster configurations. We have also looked into the adsorption of noble gas clusters on bilayer GDY systems and have found that the intercalation of gas atoms within the bilayers is feasible. Our study suggests that the stochastic nature of the swarm intelligence technique, PSO can assist in an effective search of the potential energy surfaces for the global minima, eventually enabling large-scale simulations." @default.
• W4285388611 created "2022-07-14" @default.
• W4285388611 creator A5055172841 @default.
• W4285388611 creator A5057622535 @default.
• W4285388611 creator A5080182026 @default.
• W4285388611 date "2022-08-17" @default.
• W4285388611 modified "2023-09-27" @default.
• W4285388611 title "Elucidation of Noble Gas Cluster Configurations Bound on Graphdiyne: A Metaheuristic Approach" @default.
• W4285388611 cites W1491507619 @default.
• W4285388611 cites W1595159159 @default.
• W4285388611 cites W1607535733 @default.
• W4285388611 cites W1967663885 @default.
• W4285388611 cites W1967883617 @default.
• W4285388611 cites W1975613225 @default.
• W4285388611 cites W1981432390 @default.
• W4285388611 cites W1985798958 @default.
• W4285388611 cites W1987843309 @default.
• W4285388611 cites W1990278327 @default.
• W4285388611 cites W1991064413 @default.
• W4285388611 cites W1992976766 @default.
• W4285388611 cites W2001039539 @default.
• W4285388611 cites W2004707265 @default.
• W4285388611 cites W2006999878 @default.
• W4285388611 cites W2014129175 @default.
• W4285388611 cites W2025136035 @default.
• W4285388611 cites W2037465995 @default.
• W4285388611 cites W2048116550 @default.
• W4285388611 cites W2051434435 @default.
• W4285388611 cites W2058120003 @default.
• W4285388611 cites W2102688528 @default.
• W4285388611 cites W2107246366 @default.
• W4285388611 cites W2112850441 @default.
• W4285388611 cites W2115661144 @default.
• W4285388611 cites W2117000100 @default.
• W4285388611 cites W2128126619 @default.
• W4285388611 cites W2145113795 @default.
• W4285388611 cites W2151802791 @default.
• W4285388611 cites W2152195021 @default.
• W4285388611 cites W2158777466 @default.
• W4285388611 cites W2296407729 @default.
• W4285388611 cites W2314953851 @default.
• W4285388611 cites W2320055370 @default.
• W4285388611 cites W2326203751 @default.
• W4285388611 cites W2526729508 @default.
• W4285388611 cites W2549364180 @default.
• W4285388611 cites W2564978142 @default.
• W4285388611 cites W2572335844 @default.
• W4285388611 cites W2580192432 @default.
• W4285388611 cites W2586607207 @default.
• W4285388611 cites W2587385717 @default.
• W4285388611 cites W2588543374 @default.
• W4285388611 cites W2753203317 @default.
• W4285388611 cites W2767801444 @default.
• W4285388611 cites W2797886767 @default.
• W4285388611 cites W2807491098 @default.
• W4285388611 cites W2809540602 @default.
• W4285388611 cites W2907047726 @default.
• W4285388611 cites W2911103033 @default.
• W4285388611 cites W2960114444 @default.
• W4285388611 cites W2976811112 @default.
• W4285388611 cites W2988153393 @default.
• W4285388611 cites W3010314065 @default.
• W4285388611 cites W3075925702 @default.
• W4285388611 cites W3103145119 @default.
• W4285388611 cites W3105255230 @default.
• W4285388611 cites W3105621768 @default.
• W4285388611 cites W3119830717 @default.
• W4285388611 cites W3121437583 @default.
• W4285388611 cites W3167846389 @default.
• W4285388611 cites W4205576568 @default.
• W4285388611 cites W4210632708 @default.
• W4285388611 cites W4229942708 @default.
• W4285388611 cites W4234126530 @default.
• W4285388611 cites W938167856 @default.
• W4285388611 doi "https://doi.org/10.1002/asia.202200625" @default.
• W4285388611 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35833592" @default.
• W4285388611 hasPublicationYear "2022" @default.
• W4285388611 type Work @default.
• W4285388611 citedByCount "0" @default.
• W4285388611 crossrefType "journal-article" @default.
• W4285388611 hasAuthorship W4285388611A5055172841 @default.
• W4285388611 hasAuthorship W4285388611A5057622535 @default.
• W4285388611 hasAuthorship W4285388611A5080182026 @default.
• W4285388611 hasConcept C121530826 @default.
• W4285388611 hasConcept C134306372 @default.
• W4285388611 hasConcept C147597530 @default.
• W4285388611 hasConcept C147789679 @default.
• W4285388611 hasConcept C150394285 @default.
• W4285388611 hasConcept C154945302 @default.
• W4285388611 hasConcept C159467904 @default.
• W4285388611 hasConcept C164866538 @default.
• W4285388611 hasConcept C171250308 @default.
• W4285388611 hasConcept C178790620 @default.
• W4285388611 hasConcept C181335050 @default.
• W4285388611 hasConcept C185592680 @default.
• W4285388611 hasConcept C186633575 @default.
• W4285388611 hasConcept C191897082 @default.
• W4285388611 hasConcept C192157962 @default.
• W4285388611 hasConcept C192562407 @default.
• W4285388611 hasConcept C199360897 @default.

• next