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
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
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.
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.
(Electronic structure of nanoscale materials and related systems)
引用本文:
LI Ji-Ling;YANG Guo-Wei;ZHAO Ming-Wen;LIU Xiang-Dong;XIA Yue-Yuan**. Tuning Bandgap of Si-C Heterofullerene-Based Aanotubes by H Adsorption[J]. 中国物理快报, 2010, 27(9): 97101-097101.
LI Ji-Ling, YANG Guo-Wei, ZHAO Ming-Wen, LIU Xiang-Dong, XIA Yue-Yuan**. Tuning Bandgap of Si-C Heterofullerene-Based Aanotubes by H Adsorption. Chin. Phys. Lett., 2010, 27(9): 97101-097101.
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