Matches in SemOpenAlex for { <https://semopenalex.org/work/W2952736701> ?p ?o ?g. }
Showing items 1 to 87 of
87
with 100 items per page.
- W2952736701 abstract "Boranates (tetrahydroborates) are studied intensively because of their potential use as hydrogen storage materials. In this Article, we present a first-principles study of α-Mg(BH4)2 at the level of density functional theory. We optimize the complex structure of α-Mg(BH4)2, starting from the experimental crystal structures with 30 formula units per unit cell. From total energy calculations, incorporating vibrational contributions at finite temperature, we show that the hydrogen desorption reaction α-Mg(BH4)2 → MgB2 + 4H2 has a reaction enthalpy of 38 kJ/mol H2 at room temperature. This makes Mg(BH4)2 an interesting candidate as a hydrogen storage material." @default.
- W2952736701 created "2019-06-27" @default.
- W2952736701 creator A5026750432 @default.
- W2952736701 creator A5047589722 @default.
- W2952736701 creator A5063969731 @default.
- W2952736701 creator A5068191632 @default.
- W2952736701 date "2008-11-11" @default.
- W2952736701 modified "2023-09-24" @default.
- W2952736701 title "ChemInform Abstract: A Density Functional Study of α-Mg(BH4)2." @default.
- W2952736701 cites W2132061901 @default.
- W2952736701 doi "https://doi.org/10.1002/chin.200846003" @default.
- W2952736701 hasPublicationYear "2008" @default.
- W2952736701 type Work @default.
- W2952736701 sameAs 2952736701 @default.
- W2952736701 citedByCount "0" @default.
- W2952736701 crossrefType "journal-article" @default.
- W2952736701 hasAuthorship W2952736701A5026750432 @default.
- W2952736701 hasAuthorship W2952736701A5047589722 @default.
- W2952736701 hasAuthorship W2952736701A5063969731 @default.
- W2952736701 hasAuthorship W2952736701A5068191632 @default.
- W2952736701 hasConcept C115624301 @default.
- W2952736701 hasConcept C121332964 @default.
- W2952736701 hasConcept C147368240 @default.
- W2952736701 hasConcept C147597530 @default.
- W2952736701 hasConcept C147789679 @default.
- W2952736701 hasConcept C150394285 @default.
- W2952736701 hasConcept C152365726 @default.
- W2952736701 hasConcept C162711632 @default.
- W2952736701 hasConcept C178790620 @default.
- W2952736701 hasConcept C185592680 @default.
- W2952736701 hasConcept C199360897 @default.
- W2952736701 hasConcept C2781285689 @default.
- W2952736701 hasConcept C3288061 @default.
- W2952736701 hasConcept C41008148 @default.
- W2952736701 hasConcept C512968161 @default.
- W2952736701 hasConcept C59801894 @default.
- W2952736701 hasConcept C68044625 @default.
- W2952736701 hasConcept C8010536 @default.
- W2952736701 hasConcept C97355855 @default.
- W2952736701 hasConceptScore W2952736701C115624301 @default.
- W2952736701 hasConceptScore W2952736701C121332964 @default.
- W2952736701 hasConceptScore W2952736701C147368240 @default.
- W2952736701 hasConceptScore W2952736701C147597530 @default.
- W2952736701 hasConceptScore W2952736701C147789679 @default.
- W2952736701 hasConceptScore W2952736701C150394285 @default.
- W2952736701 hasConceptScore W2952736701C152365726 @default.
- W2952736701 hasConceptScore W2952736701C162711632 @default.
- W2952736701 hasConceptScore W2952736701C178790620 @default.
- W2952736701 hasConceptScore W2952736701C185592680 @default.
- W2952736701 hasConceptScore W2952736701C199360897 @default.
- W2952736701 hasConceptScore W2952736701C2781285689 @default.
- W2952736701 hasConceptScore W2952736701C3288061 @default.
- W2952736701 hasConceptScore W2952736701C41008148 @default.
- W2952736701 hasConceptScore W2952736701C512968161 @default.
- W2952736701 hasConceptScore W2952736701C59801894 @default.
- W2952736701 hasConceptScore W2952736701C68044625 @default.
- W2952736701 hasConceptScore W2952736701C8010536 @default.
- W2952736701 hasConceptScore W2952736701C97355855 @default.
- W2952736701 hasIssue "46" @default.
- W2952736701 hasLocation W29527367011 @default.
- W2952736701 hasOpenAccess W2952736701 @default.
- W2952736701 hasPrimaryLocation W29527367011 @default.
- W2952736701 hasRelatedWork W1975578052 @default.
- W2952736701 hasRelatedWork W1979037542 @default.
- W2952736701 hasRelatedWork W1991800536 @default.
- W2952736701 hasRelatedWork W2016497705 @default.
- W2952736701 hasRelatedWork W2029313532 @default.
- W2952736701 hasRelatedWork W2030814738 @default.
- W2952736701 hasRelatedWork W2034041184 @default.
- W2952736701 hasRelatedWork W2078083969 @default.
- W2952736701 hasRelatedWork W2079214598 @default.
- W2952736701 hasRelatedWork W2132061901 @default.
- W2952736701 hasRelatedWork W2323115555 @default.
- W2952736701 hasRelatedWork W2334919982 @default.
- W2952736701 hasRelatedWork W2354113015 @default.
- W2952736701 hasRelatedWork W2410529037 @default.
- W2952736701 hasRelatedWork W2732218882 @default.
- W2952736701 hasRelatedWork W2804209470 @default.
- W2952736701 hasRelatedWork W3017032136 @default.
- W2952736701 hasRelatedWork W3184051636 @default.
- W2952736701 hasRelatedWork W2606992491 @default.
- W2952736701 hasRelatedWork W2741156668 @default.
- W2952736701 hasVolume "39" @default.
- W2952736701 isParatext "false" @default.
- W2952736701 isRetracted "false" @default.
- W2952736701 magId "2952736701" @default.
- W2952736701 workType "article" @default.