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Hydrogen storage capacity of Li-decorated borophene

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Hydrogen storage capacity of Li-decorated borophene ( hydrogen-storage-capacity-li-decorated-borophene )

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[34] A. Garc ́ıa-Fuente, J. Carrete, A. Vega, L. J. Gallego, What will freestanding borophene nanoribbons look like? An analysis of their possible structures, magnetism and transport properties, Phys. Chem. Chem. Phys. 19 (2017) 1054. [35] S. Er, G. A. de Wijs, G. Brocks, DFT study of planar boron sheets: a new template for hydrogen storage, J. Phys. Chem. C 113 (2009) 18962. [36] L. Li, H. Zhang, X. Cheng, The high hydrogen storage capacities of Li-decorated borophene, Comput. Mater. Sci. 137 (2017) 119124. [37] A. Lebon, R. H. Aguilera del Toro, L. J. Gallego, A. Vega, Li-decorated Pmmmn8 phase of borophene for hydrogen storage. A van der Waals corrected density-functional study, Int. J. Hydrogen Energy 44 (2019) 1021. [38] J. Klimesˇ, D. R. Bowler, A. Michaelides, Chemical accuracy for the van der Waals density functional, J. Phys.: Condens. Matter 22 (2010) 022201. [39] H. Nishihara, T. Kyotani, Zeolite-templated carbons - three-dimensional microporous graphene frame- works, Chem. Commun. 54 (2018) 5648. [40] G. Kresse, J. Furthmu ̈ller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B 54 (1996) 11169–86. [41] G. Kresse, J. Hafner, Ab initio molecular dynamics for liquid metals, Phys. Rev. B 47 (1993) 558–61. [42] P. E. Blo ̈chl, Projector augmented-wave method, Phys. Rev. B 50 (1994) 17953–79. [43] M.-S. Park, S.-E. Lee, M. I. Kim, Y.-S. Lee, CO2 adsorption characteristics of slit-pore shaped activated carbon prepared from cokes with high crystallinity, Carbon Lett. 16 (2015) 45–50. [44] I. Cabria, Simulations of volumetric hydrogen storage capacities of nanoporous carbons: Effect of dispersion interactions as a function of pressure, temperature and pore width, Int. J. Hydrogen Energy 45 (2020) 5697–709. [45] A. F. Ismail, K. C. Khulbe, T. Matsuura, Gas Separation Membranes: Polymeric and Inorganic, Springer, Switzerland, 2015. doi:10.1007/978-3-319-01095-3. 23

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