Matches in SemOpenAlex for { <https://semopenalex.org/work/W4244030003> ?p ?o ?g. }
Showing items 1 to 73 of
73
with 100 items per page.
- W4244030003 abstract "Abstract Using the first-principles calculation based on density functional theory (DFT), we systematically studied the adsorption of sulfur-based gas molecules (H 2 S, SO 2 , SO 3 ) on various metal-decorated phosphorenes. To avoid the formation of metal clusters on the surface of phosphorene, eleven metals (Li, Na, K, Rb, Cs, Ca, Sr, Ba, Ni, La, Tl) with bulk cohesive energy less than the binding energy on the phosphorene are considered. Except for H 2 S on Tl-decorated phosphorene, all metal decorations can improve the adsorption strength of phosphorene to sulfur-based gas molecules, and E ads (H 2 S) < E ads (SO 2 ) < E ads (SO 3 ) for the same metal decoration case. In addition, some metal-decorated phosphorene systems exhibit interesting magnetic and electrical changes after sulfur-based gas molecule adsorptions, indicating that these metal-decorated phosphorene systems are promising to be used for the detection and removal of sulfur-based gas molecules." @default.
- W4244030003 created "2022-05-12" @default.
- W4244030003 creator A5001300621 @default.
- W4244030003 creator A5010479652 @default.
- W4244030003 creator A5029479000 @default.
- W4244030003 creator A5055562824 @default.
- W4244030003 creator A5067869362 @default.
- W4244030003 date "2021-03-03" @default.
- W4244030003 modified "2023-10-04" @default.
- W4244030003 title "Effect of metal decoration on sulfur-based gas molecules adsorption on phosphorene" @default.
- W4244030003 doi "https://doi.org/10.21203/rs.3.rs-109436/v2" @default.
- W4244030003 hasPublicationYear "2021" @default.
- W4244030003 type Work @default.
- W4244030003 citedByCount "0" @default.
- W4244030003 crossrefType "posted-content" @default.
- W4244030003 hasAuthorship W4244030003A5001300621 @default.
- W4244030003 hasAuthorship W4244030003A5010479652 @default.
- W4244030003 hasAuthorship W4244030003A5029479000 @default.
- W4244030003 hasAuthorship W4244030003A5055562824 @default.
- W4244030003 hasAuthorship W4244030003A5067869362 @default.
- W4244030003 hasBestOaLocation W42440300031 @default.
- W4244030003 hasConcept C121332964 @default.
- W4244030003 hasConcept C147597530 @default.
- W4244030003 hasConcept C147789679 @default.
- W4244030003 hasConcept C150394285 @default.
- W4244030003 hasConcept C152365726 @default.
- W4244030003 hasConcept C171250308 @default.
- W4244030003 hasConcept C178790620 @default.
- W4244030003 hasConcept C179104552 @default.
- W4244030003 hasConcept C184779094 @default.
- W4244030003 hasConcept C185592680 @default.
- W4244030003 hasConcept C192562407 @default.
- W4244030003 hasConcept C2777208637 @default.
- W4244030003 hasConcept C32909587 @default.
- W4244030003 hasConcept C518881349 @default.
- W4244030003 hasConcept C544153396 @default.
- W4244030003 hasConcept C7070889 @default.
- W4244030003 hasConcept C93282013 @default.
- W4244030003 hasConceptScore W4244030003C121332964 @default.
- W4244030003 hasConceptScore W4244030003C147597530 @default.
- W4244030003 hasConceptScore W4244030003C147789679 @default.
- W4244030003 hasConceptScore W4244030003C150394285 @default.
- W4244030003 hasConceptScore W4244030003C152365726 @default.
- W4244030003 hasConceptScore W4244030003C171250308 @default.
- W4244030003 hasConceptScore W4244030003C178790620 @default.
- W4244030003 hasConceptScore W4244030003C179104552 @default.
- W4244030003 hasConceptScore W4244030003C184779094 @default.
- W4244030003 hasConceptScore W4244030003C185592680 @default.
- W4244030003 hasConceptScore W4244030003C192562407 @default.
- W4244030003 hasConceptScore W4244030003C2777208637 @default.
- W4244030003 hasConceptScore W4244030003C32909587 @default.
- W4244030003 hasConceptScore W4244030003C518881349 @default.
- W4244030003 hasConceptScore W4244030003C544153396 @default.
- W4244030003 hasConceptScore W4244030003C7070889 @default.
- W4244030003 hasConceptScore W4244030003C93282013 @default.
- W4244030003 hasLocation W42440300031 @default.
- W4244030003 hasLocation W42440300032 @default.
- W4244030003 hasLocation W42440300033 @default.
- W4244030003 hasOpenAccess W4244030003 @default.
- W4244030003 hasPrimaryLocation W42440300031 @default.
- W4244030003 hasRelatedWork W2004890661 @default.
- W4244030003 hasRelatedWork W2037388895 @default.
- W4244030003 hasRelatedWork W2990376614 @default.
- W4244030003 hasRelatedWork W3111517368 @default.
- W4244030003 hasRelatedWork W3156797909 @default.
- W4244030003 hasRelatedWork W3160081720 @default.
- W4244030003 hasRelatedWork W3167182661 @default.
- W4244030003 hasRelatedWork W4240983629 @default.
- W4244030003 hasRelatedWork W4244030003 @default.
- W4244030003 hasRelatedWork W4303968791 @default.
- W4244030003 isParatext "false" @default.
- W4244030003 isRetracted "false" @default.
- W4244030003 workType "article" @default.