Materials Today Energy
Volume 16, June 2020, 100421
Influence of Kubas-type interaction of B–Ni codoped graphdiyne with hydrogen molecules on desorption temperature and storage efficiency
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Graphical abstract
Keywords
Monolayer
2D carbon allotrope
ab initio molecular dynamics (AIMD)
Hybrid functional
vdW corrections
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© 2020 The Authors. Published by Elsevier Ltd.