| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Tuning Bandgap of Si-C Heterofullerene-Based Aanotubes by H Adsorption |
LI Ji-Ling1, YANG Guo-Wei1, ZHAO Ming-Wen2, LIU Xiang-Dong2, XIA Yue-Yuan2** |
| 1State Key Laboratory of Optoelectronic Materials and Technologies, Institute of Optoelectronic and Functional Composite Materials, Nanotechnology Research Center, School of Physics and Engineering, Sun Yat-sen University, Guangzhou 510275 2School of Physics, Shandong University, Jinan 250100 |
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| Cite this article: |
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LI Ji-Ling, YANG Guo-Wei, ZHAO Ming-Wen et al 2010 Chin. Phys. Lett. 27 097101 |
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Abstract We theoretically show that H atoms can be chemically adsorbed onto the surface of the Si-C heterofullerene-based nanotubes. The adsorbing energy of the H atom on Si-C heterofullerene-based nanotubes is in the range of 4.28-5.66 eV without any barrier for the H atom to approach to the Si-C heterofullerene-based nanotubes. The band-gap of Si-C heterofullerene-based nanotubes can be dramatically modified by introducing dopant states, i.e., there is a transition from semiconductor to conductor of the Si-C heterofullerene-based nanotubes induced by the adsorption of the H atom. These results actually open a way to tune electronic properties of heterofullerene-based nanotubes and thus may propose an efficient pathway for band structure engineering.
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| Keywords:
71.20.TX
61.46.-w
73.22.-f
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Received: 07 June 2010
Published: 25 August 2010
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| PACS: |
71.20.Tx
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(Fullerenes and related materials; intercalation compounds)
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61.46.-w
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(Structure of nanoscale materials)
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73.22.-f
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(Electronic structure of nanoscale materials and related systems)
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