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RETRACTED ARTICLE: Mechanical properties and electronic structures of compressed C60, C180 and C60@C180 fullerene molecules

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This article was retracted on 14 February 2019

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Abstract

Molecular dynamics simulations were performed for compressed C60, C180 and C60@C180 fullerene molecules, and the semi-empirical PM3 calculations were carried out to obtain the electronic structure of the compressed fullerenes. According to the obtained results, the differences of mechanical properties between these compressed fullerenes, as well as the changes of their FMO (Frontier molecular orbital) energy-levels during compression, were discussed. It is shown that (1) the C60 molecule has much higher load-support and energy-absorbing capability than the C180 and C60@C180 molecules, and the C60@C180 is only slightly superior to the C180, (2) of the three molecules, the C60 molecule has the best chemical-stability, and the C60@C180 molecule has the worst one, (3) with the increase of compressive strain, both the C60 and C60@C180 molecules become more chemically active, and (4) when the compressed C180 molecule caves in at the loading position(s), its chemical-stability decreases abruptly.

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Change history

  • 14 February 2019

    The Editor-in-Chief has retracted this article [1] because it has been previously published by the same author in a Chinese-language journal [2]. The Chinese-language version was not cited in the duplicate publication and also it had a second author, XC Mu, who was not included in this article. The author apologizes for any inconvenience caused. The author agreed to this retraction.

  • 14 February 2019

    The Editor-in-Chief has retracted this article [1] because it has been previously published by the same author in a Chinese-language journal [2]. The Chinese-language version was not cited in the duplicate publication and also it had a second author, XC Mu, who was not included in this article. The author apologizes for any inconvenience caused. The author agreed to this retraction.

  • 14 February 2019

    The Editor-in-Chief has retracted this article [1] because it has been previously published by the same author in a Chinese-language journal [2]. The Chinese-language version was not cited in the duplicate publication and also it had a second author, XC Mu, who was not included in this article. The author apologizes for any inconvenience caused. The author agreed to this retraction.

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Acknowledgement

This work is supported by the Innovation Foundation of NUAA (Y0507-013).

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Authors and Affiliations

  1. School of Aeronautics & Astronautics, Nanjing University of Aeronautics & Astronautics, Nanjing, 210016, China

    Haijun Shen

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  1. Haijun Shen
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Correspondence to Haijun Shen.

Additional information

The Editor-in-Chief has retracted this article (1) because it has been previously published by the same author in a Chinese-language journal (2). The Chinese-language version was not cited in the duplicate publication and also it had a second author, XC Mu, who was not included in this article. The author apologizes for any inconvenience caused. The author agreed to this retraction.

1. Shen HJ (2007) Mechanical properties and electronic structures of compressed C60, C180 and C60@C180 fullerene molecules. J Mater Sci 42:7337–7342. https://doi.org/10.1007/s10853-007-1576-z

2. Shen HJ, Mu XC (2006) Compressive mechanical properties and electronic structures of C60, C180 and C60@C180 fullerene molecules (in Chinese). Chin J Mater Res 20: 93–98.

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Shen, H. RETRACTED ARTICLE: Mechanical properties and electronic structures of compressed C60, C180 and C60@C180 fullerene molecules. J Mater Sci 42, 7337–7342 (2007). https://doi.org/10.1007/s10853-007-1576-z

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  • DOI: https://doi.org/10.1007/s10853-007-1576-z

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