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

Nair, H. T.Kandasamy, M.Jha, P. K.Chakraborty, B.2025-03-202025-03-202024ACS Applied Energy Materials, 2024. Vol. 7 (7): pp. 2579-2592https://dspacecris.ourlib.in/handle/123456789/27896density functional theoryab initio molecular dynamics simulationshydrogen storagediffusion barrierpolyaramidCa Functionalization of the Polyaramid System for Reversible Hydrogen Storage: A DFT StudyArticle