activity
20202026
most citedA DFT Study on the Mechanical, Electronic, Thermodynamic, and Optical Properties of GaN and AlN Counterparts of Biphenylene Network

24 citations · 32 across the 13 of their papers we have counts for

collaborators
Showing 2026Show all

2 papers · 1 filter

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-sci2026

Exploring the Potential of Two-dimensional Borospherene for Toxic Gas Sensing and Capture: A DFT Study

Nicolas F. Martins, José A. dos S. Laranjeira, Kleuton A. L. Lima +2

Two-dimensional (2D) boron-based materials have gained increasing interest due to their exceptional physicochemical properties and potential technological applications. In this way…