Ca Functionalization of the Polyaramid System for Reversible Hydrogen Storage: A DFT Study

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dc.contributor.authorNair, H. T.
dc.contributor.authorKandasamy, M.
dc.contributor.authorJha, P. K.
dc.contributor.authorChakraborty, B.
dc.date.accessioned2025-03-20T07:26:07Z
dc.date.available2025-03-20T07:26:07Z
dc.date.issued2024
dc.description.divisionHP&SRPD
dc.identifier.sourceACS Applied Energy Materials, 2024. Vol. 7 (7): pp. 2579-2592
dc.identifier.urihttps://dspacecris.ourlib.in/handle/123456789/27896
dc.subjectdensity functional theory
dc.subjectab initio molecular dynamics simulations
dc.subjecthydrogen storage
dc.subjectdiffusion barrier
dc.subjectpolyaramid
dc.titleCa Functionalization of the Polyaramid System for Reversible Hydrogen Storage: A DFT Study
dc.typeArticle

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