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Shakti S. Ray

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Sep 2026

Selective Adsorption of Hazardous Gases on <scp> C <sub>12</sub> B <sub>8</sub> </scp> Nanocages: A Density Functional Theory Investigation

This study investigated the potential of a Be‐decorated C 12 B 8 nanocage as a selective and sensitive platform for hazardous gas sensing. Structural optimization identified the C–C bridge as the most favorable binding site for the Be atom, featuring a high binding energy of −3.02 eV. Subsequent adsorption stud...

Shakti S. Ray, Trupti R. Das, Jin-Suk Chung et al. · 0 citations

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