FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022283204> ?p ?o ?g. }

• W2022283204 endingPage "1398" @default.
• W2022283204 startingPage "1391" @default.
• W2022283204 abstract "Metal azides are well-known for their explosive properties such as detonation or deflagration. As chemically pure sources of nitrogen, alkali metal azides under high pressure have the ability to form polymeric nitrogen, an ultimate green high energy density material with energy density three times greater than that of known high energetic materials. With this motive, in this present work, we try to address the high-pressure behaviour of LiN3 and KN3 by means of density functional calculations. All the calculations are performed with the inclusion of van der Waals interactions at semi empirical level, as these materials are typical molecular solids. We found that both LiN3 and KN3 are structurally stable up to the studied pressure range of 60 GPa and 16 GPa, respectively. At ambient conditions both the materials are insulators with a gap of 3.48 eV (LiN3) and 4.08 eV (KN3) and as pressure increases the band gap decreases and show semiconducting nature at high pressures. We also found that the compressibility of both the crystals is anisotropic which is in good agreement with experiment. Our theoretical study proved that the materials under study may have the ability to form polymeric nitrogen because of the decrease in interazide ion distance and possible overlapping of N atomic orbitals." @default.
• W2022283204 created "2016-06-24" @default.
• W2022283204 creator A5001265594 @default.
• W2022283204 creator A5051428757 @default.
• W2022283204 date "2012-11-01" @default.
• W2022283204 modified "2023-10-17" @default.
• W2022283204 title "Metal azides under pressure: An emerging class of high energy density materials" @default.
• W2022283204 cites W1573742858 @default.
• W2022283204 cites W1965628127 @default.
• W2022283204 cites W1981368803 @default.
• W2022283204 cites W1986430366 @default.
• W2022283204 cites W1987911606 @default.
• W2022283204 cites W2009039271 @default.
• W2022283204 cites W2017224271 @default.
• W2022283204 cites W2018240243 @default.
• W2022283204 cites W2018936961 @default.
• W2022283204 cites W2036113194 @default.
• W2022283204 cites W2044591029 @default.
• W2022283204 cites W2055906202 @default.
• W2022283204 cites W2057736458 @default.
• W2022283204 cites W2063996640 @default.
• W2022283204 cites W2087585288 @default.
• W2022283204 cites W2088380112 @default.
• W2022283204 cites W2103747543 @default.
• W2022283204 cites W2119063023 @default.
• W2022283204 cites W3103861615 @default.
• W2022283204 cites W4251236214 @default.
• W2022283204 cites W431781825 @default.
• W2022283204 doi "https://doi.org/10.1007/s12039-012-0338-x" @default.
• W2022283204 hasPublicationYear "2012" @default.
• W2022283204 type Work @default.
• W2022283204 sameAs 2022283204 @default.
• W2022283204 citedByCount "20" @default.
• W2022283204 countsByYear W20222832042013 @default.
• W2022283204 countsByYear W20222832042014 @default.
• W2022283204 countsByYear W20222832042015 @default.
• W2022283204 countsByYear W20222832042016 @default.
• W2022283204 countsByYear W20222832042017 @default.
• W2022283204 countsByYear W20222832042018 @default.
• W2022283204 countsByYear W20222832042019 @default.
• W2022283204 countsByYear W20222832042020 @default.
• W2022283204 countsByYear W20222832042021 @default.
• W2022283204 countsByYear W20222832042022 @default.
• W2022283204 crossrefType "journal-article" @default.
• W2022283204 hasAuthorship W2022283204A5001265594 @default.
• W2022283204 hasAuthorship W2022283204A5051428757 @default.
• W2022283204 hasBestOaLocation W20222832042 @default.
• W2022283204 hasConcept C121332964 @default.
• W2022283204 hasConcept C126061179 @default.
• W2022283204 hasConcept C147120987 @default.
• W2022283204 hasConcept C147597530 @default.
• W2022283204 hasConcept C152365726 @default.
• W2022283204 hasConcept C154238967 @default.
• W2022283204 hasConcept C159467904 @default.
• W2022283204 hasConcept C178790620 @default.
• W2022283204 hasConcept C181966813 @default.
• W2022283204 hasConcept C185592680 @default.
• W2022283204 hasConcept C189394030 @default.
• W2022283204 hasConcept C192562407 @default.
• W2022283204 hasConcept C198091228 @default.
• W2022283204 hasConcept C203397868 @default.
• W2022283204 hasConcept C32909587 @default.
• W2022283204 hasConcept C49040817 @default.
• W2022283204 hasConcept C537208039 @default.
• W2022283204 hasConcept C544153396 @default.
• W2022283204 hasConcept C62520636 @default.
• W2022283204 hasConcept C97355855 @default.
• W2022283204 hasConceptScore W2022283204C121332964 @default.
• W2022283204 hasConceptScore W2022283204C126061179 @default.
• W2022283204 hasConceptScore W2022283204C147120987 @default.
• W2022283204 hasConceptScore W2022283204C147597530 @default.
• W2022283204 hasConceptScore W2022283204C152365726 @default.
• W2022283204 hasConceptScore W2022283204C154238967 @default.
• W2022283204 hasConceptScore W2022283204C159467904 @default.
• W2022283204 hasConceptScore W2022283204C178790620 @default.
• W2022283204 hasConceptScore W2022283204C181966813 @default.
• W2022283204 hasConceptScore W2022283204C185592680 @default.
• W2022283204 hasConceptScore W2022283204C189394030 @default.
• W2022283204 hasConceptScore W2022283204C192562407 @default.
• W2022283204 hasConceptScore W2022283204C198091228 @default.
• W2022283204 hasConceptScore W2022283204C203397868 @default.
• W2022283204 hasConceptScore W2022283204C32909587 @default.
• W2022283204 hasConceptScore W2022283204C49040817 @default.
• W2022283204 hasConceptScore W2022283204C537208039 @default.
• W2022283204 hasConceptScore W2022283204C544153396 @default.
• W2022283204 hasConceptScore W2022283204C62520636 @default.
• W2022283204 hasConceptScore W2022283204C97355855 @default.
• W2022283204 hasIssue "6" @default.
• W2022283204 hasLocation W20222832041 @default.
• W2022283204 hasLocation W20222832042 @default.
• W2022283204 hasOpenAccess W2022283204 @default.
• W2022283204 hasPrimaryLocation W20222832041 @default.
• W2022283204 hasRelatedWork W1974799504 @default.
• W2022283204 hasRelatedWork W1994848858 @default.
• W2022283204 hasRelatedWork W2048393172 @default.
• W2022283204 hasRelatedWork W2050781810 @default.
• W2022283204 hasRelatedWork W2766728814 @default.
• W2022283204 hasRelatedWork W2884215253 @default.

• next