Modeling of substitutionally modified graphene structures to prevent the shuttle mechanism in lithium-sulfur batteries
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DOI: 10.1016/j.electacta.2019.04.062
Abstract: Abstract The interaction of polysulfides with graphene layers substitutionally modified with heteroatoms is analyzed using first-principles calculations, with the aim of using these structures to prevent polysulfide migration in lithium-sulfur batteries. The heteroatoms considered were… read more here.
Keywords: lithium sulfur; substitutionally modified; sulfur batteries; graphene structures ... See more keywords