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1 paper

cond-mat.mtrl-sci2026

Adsorption of Phosgene Gas on Pristine and Noble Metal-Doped B12N12 Nanocages: Insights from Density Functional Theory

Shahariar Chowdhury, Mohammad Abdul Matin, Samiran Bhattacharjee +1

This study examines phosgene (COCl2) adsorption on pristine and noble metal-doped (Ag, Au, Pd, Pt) B12N12 nanocages using dispersion-corrected density functional theory [B3LYP-D3(B…