Interaction of water with single-walled carbon nanotubes: Reaction and adsorption

被引:52
作者
Ellison, MD [1 ]
Good, AP [1 ]
Kinnaman, CS [1 ]
Padgett, NE [1 ]
机构
[1] Wittenberg Univ, Dept Chem, Springfield, OH 45501 USA
关键词
D O I
10.1021/jp0444417
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The interaction of water vapor with carbon nanotubes at room temperature has been investigated using Fourier transform (FT) IR spectroscopy and density functional theory (DFT) calculations. FTIR data indicate that water molecules adsorb on single-walled carbon nanotubes at room temperature. Comparison to previous studies suggests that the water forms hydrogen-bonded structures inside the nanotubes. Analysis of the FTIR data demonstrates that a small number of water molecules react with the nanotubes, forming C-O bonds, whereas a majority of the water molecules adsorb intact. The DFT calculations show that cleavage of an O-H bond upon adsorption to form adsorbed -H and -OH groups is energetically favorable at defect sites on nanotubes.
引用
收藏
页码:10640 / 10646
页数:7
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