摘要
Adsorption structure of the entrapped nitrogen in carbon-nanohorns, which are synthesized by submerged arc-discharge with carbon electrodes in liquid nitrogen, has been analyzed by soft X-ray emission and absorption spectroscopy using synchrotron radiation. From spectral analysis using the discrete variational (DV)-X alpha molecular orbital method, it is elucidated that the most probable structure is the chemisorption of N(2) at the edges of hexagonal carbon layers. The adsorbed N(2) forms a pentagonal or a hexagonal ring with the edge carbon atoms in the zigzag or armchair arrangements, respectively.
- 出版日期2010-8