| Theoretical Investigation of Hydrogen Sulfide Adsorption on the Surface of F Functionalized Carbon and Carbon Silicon Nanotubes (7,0) in the Gas Phase and Water |
| MEYSAM Najafi; |
| 关键词:DFT;water;nanotube;H_2S;functionalizatio |
| 主要内容:In order to develop a sensor for the detection of toxic H_2S molecule,the interactions of C–NT and CSi–NT with H_2S mole |
| 《结构化学》 2017,36(03):387-395 |
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