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Please use this identifier to cite or link to this item: http://cmuir.cmu.ac.th/jspui/handle/6653943832/76473
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dc.contributor.authorPrayoonsak Pluengphonen_US
dc.contributor.authorPrutthipong Tsuppayakorn-aeken_US
dc.contributor.authorWiwittawin Sukmasen_US
dc.contributor.authorBurapat Inceesungvornen_US
dc.contributor.authorThiti Bovornratanaraksen_US
dc.date.accessioned2022-10-16T07:10:33Z-
dc.date.available2022-10-16T07:10:33Z-
dc.date.issued2021-06-23en_US
dc.identifier.issn03603199en_US
dc.identifier.other2-s2.0-85106241981en_US
dc.identifier.other10.1016/j.ijhydene.2021.04.070en_US
dc.identifier.urihttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85106241981&origin=inwarden_US
dc.identifier.urihttp://cmuir.cmu.ac.th/jspui/handle/6653943832/76473-
dc.description.abstractWe present structural stability of new lightweight complex hydrides: Li2BeMgH6, LiNaMg2H6, and LiNaBeMgH6, which correlated to the LiMgH3 (R3c) phase. Lattice dynamic stability, mechanical stability, electronic structure, and hydrogen vacancy mechanism are investigated using ab initio calculation. Remarkably, calculation results show the enhancement of the internal mechanism for hydrogen storage in the lightweight complex hydrides. The stable phase (R3) of the new complex hydrides exhibits high gravimetric density and low heat capacity. The Li2BeMgH6 in the R3 phase systematically indicates the remarkable improvement of the hydrogen storage mechanism compared with the LiMgH3-based system.en_US
dc.subjectEnergyen_US
dc.subjectPhysics and Astronomyen_US
dc.titleDynamical stabilization and H-vacancy diffusion kinetics of lightweight complex hydrides: Ab initio study for hydrogen storage improvementen_US
dc.typeJournalen_US
article.title.sourcetitleInternational Journal of Hydrogen Energyen_US
article.volume46en_US
article.stream.affiliationsChulalongkorn Universityen_US
article.stream.affiliationsHuachiew Chalermprakiet Universityen_US
article.stream.affiliationsMinistry of Higher Education, Science, Research and Innovationen_US
article.stream.affiliationsChiang Mai Universityen_US
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