Li-doped C20 nanocage and its derivatives for gas sensing application: A density functional theory study

We studied the gas-sensing properties of Li-decorated C20 nanocage and its derivatives, presenting these materials as novel candidates for sensing applications. The derivatives of C20 considered are either B-substituted, N-substituted or B and N co-substituted C20 Nanocages. Toxic gases H2S and NH3,...

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Bibliographic Details
Main Authors: Poonam Parkar, Mohsen Doust Mohammadi, Ajay Chaudhari
Format: Article
Language:English
Published: Elsevier 2025-08-01
Series:Talanta Open
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Online Access:http://www.sciencedirect.com/science/article/pii/S2666831925000116
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