Modulation of the work function of fullerenes C60 and C70 by alkali-metal adsorption: A theoretical study |
| |
| Authors: | Hong Liang Shunfu Xu Weihui Liu Yueqiang Sun Xiangfa Liu Xinqing Zheng Sen Li Qiang Zhang Ziliang Zhu Xiaochun Zhang Chengguo Dong Chun Li Guang Yuan Hitenori Mimura |
| |
| Institution: | 1. Institute of Architecture and Engineering, Weifang University of Science and Technology, Weifang 262700, China;2. Department of Physics, Institute of Information Science and Engineering, Ocean University of China, Qingdao 266100, China;3. Research Institute of Electronics, University of Shizuoka, Hamamasu 432-8011, Japan |
| |
| Abstract: | The impact of alkali-metal (Li/Na/Cs) adsorption on work function of fullerenes C60 and C70 was investigated by first-principles calculations. After adsorption, the work functions of fullerenes C60 and C70 decrease distinctly and vary linearly with the electronegativity of the alkali metal elements, and the positions where the alkali atoms are adsorbed considerably influence the work functions. On the contrary, a vacancy defect elevates the work functions of the fullerenes C60 and C70. The variation in the work functions rests with variation in Fermi level (which are attributed to charge transfer) and variation in vacuum levels (which are attributed to the induced dipole moments). Moreover, alkali-metal adsorption can also improve the electric conductivity of a fullerene mixture of C60 and C70. |
| |
| Keywords: | Alkali metal Fullerene Adsorption position Vacancy defect First-principles calculation |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
