most citedGoldene monolayer as a highly effective catalyst for polysulfide anchoring and conversion: A theoretical study

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cond-mat.mtrl-sci2026★ 1 cited

Goldene monolayer as a highly effective catalyst for polysulfide anchoring and conversion: A theoretical study

Nicolas F. Martins, José A. dos S. Laranjeira, Bill D. A. Huacarpuma +3

We use first-principles density functional theory to investigate how lithium sulfide and polysulfide clusters (Li2S, Li2S2, Li2S4, Li2S6, Li2S8, and S8) bind to Goldene, a new two-…

cond-mat.mtrl-sci2025

A Three-Dimensional Dodecaphenylyne-Derived Carbon Allotrope with Anisotropic and Auxetic-Like Mechanical Behavior

Kleuton A. L. Lima, José A. dos S. Laranjeira, Bill D. A. Huacarpuma +4

We introduce 3D-DPhyne, a novel three-dimensional (3D) carbon allotrope derived from the dodecaphenylyne framework, and investigate its structural, electronic, optical, and mechani…