Modulation of the work function of fullerenes C60 and C70 by alkaline earth metal adsorption: A theoretical study

The significant influence of alkaline earth metal (Be/Mg/Ca/Sr/Ba/Ra) adsorption on work functions of fullerenes C60 and C70 was investigated by first-principles calculations. The work functions of fullerenes C60 and C70 with Ca/Sr/Ba/Ra adatoms decrease linearly with the electronegativities of the...

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Published in:Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures 2014-01, Vol.32 (1)
Main Authors: Sun, Yue-Qiang, Xu, Shun-Fu, Liu, Wei-Hui, Li, Zeng-Sheng, Zheng, Xin-Qing, Sang, Chun-E, Zhu, Xiu-Mei, Zhang, Xiao-Chun, Li, Chun, Yuan, Guang, Mimura, Hitenori
Format: Article
Language:English
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Summary:The significant influence of alkaline earth metal (Be/Mg/Ca/Sr/Ba/Ra) adsorption on work functions of fullerenes C60 and C70 was investigated by first-principles calculations. The work functions of fullerenes C60 and C70 with Ca/Sr/Ba/Ra adatoms decrease linearly with the electronegativities of the alkaline earth metals. The work functions are also affected considerably by adsorption positions. The variations of the work functions depend on the changes of Fermi level (which is attributed to charge transfer) and the changes of vacuum levels (which is attributed to induced dipole moments). Moreover, the alkaline earth metal adsorption can also improve the electric conductivity of a fullerene mixture.
ISSN:2166-2746
1520-8567
2166-2754
DOI:10.1116/1.4849095