Author/Authors :
Lu، نويسنده , , Jing and Nagase، نويسنده , , Shigeru and Maeda، نويسنده , , Yutaka and Wakahara، نويسنده , , Takatsugu and Nakahodo، نويسنده , , Tsukasa and Akasaka، نويسنده , , Takeshi and Yu، نويسنده , , Dapeng and Gao، نويسنده , , Zhengxiang and Han، نويسنده , , Rushan and Ye، نويسنده , , Hengqiang، نويسنده ,
Abstract :
By using density functional theory calculations, it is found that the strongest interaction between NH3 and single-wall carbon nanotubes (SWNTs) is via its one H atom. The adsorption of NH3 on the metallic (7, 7) SWNT turns out to be slightly stronger than that on the semiconducting (13, 0) SWNT.
