New Publication Co-Authored by Daniel Tunega!

Exploring 2,4,6-trinitrotolulene and α/γ-Al2O3 energetic composite stability − A first principles approach Link here: https://doi.org/10.1016/j.apsusc.2026.168153 Abstract: The adsorption of 2,4,6-trinitrotoluene (TNT) on γ-Al2O3 and α-Al2O3 surfaces is investigated using density functional theory (DFT) to understand the thermodynamic role at the TNT–Al2O3 interface on TNT energetic performance. Since Al2O3 passivates aluminum particles commonly combined with TNT, their interfacial chemistry fundamentally influences…