A DFT study on effective detection of ClCN gas by functionalized, decorated, and doped nanocone strategies

Kumar, A; Sayyed, MI; Sabugaa, MM; Al-Bahrani, M; Sharma, S; Saadh, MJ

Saadh, MJ (通讯作者)，Middle East Univ, Fac Pharm, Amman, Jordan.;Saadh, MJ (通讯作者)，Appl Sci Private Univ, Appl Sci Res Ctr, Amman, Jordan.

RSC ADVANCES, 2023; 13 (18): 12554

Abstract

Density Functional Theory (DFT) was employed to investigate the interaction between cyanogen chloride (ClCN) and the surface of a carbon nanocone (CNC......

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