Significant progress in research on diamond surface remodeling in the State Key Laboratory of Superhard Materials

Recently, the State Key Laboratory of Superhard Materials of Jilin University has made important progress in the research of “new method of surface reconstruction and self-assembled carbon nanotube array on diamond surface”. The research results were published on April 16, 2014. In the journal Nature-Communication. The research work was supported by the National Natural Science Foundation of China Outstanding Youth Fund, the Surface and Key Funds, the 973 Program of the Ministry of Science and Technology, and the Education Minister Jiang Scholar Research Program.

The research results were completed by Dr. Lu Shaohua, Dr. Wang Yanchao, Dr. Liu Hanyu and Professor Ma Yuming from Jilin University and Dr. Miao Maosheng from the Beijing Computing Science Center/University of California. A new simulation method for surface reconstruction was developed and it was found that a self-assembled carbon nanotube array was formed on the diamond surface. Research has suggested that the surface can be used not only as a substrate to integrate devices, but also that the reconstructed body can be an important part of the functional device. Research is expected to achieve the organic combination of diamond and carbon nanotubes, and propose new ideas for the development of diamond-based semiconductor devices.

The research group used the multi-objective group intelligence optimization algorithm to introduce the surface two-dimensional space group structure constraints and electronic counting rules, and developed a new simulation method of global surface reconstruction, which can be intelligently developed (without relying on any known surface structure). Structural search for surface reconstruction. Lu Shaohua and Wang Yanchao compiled the method as a program module integrated into the CALYPSO structure prediction software package developed by Ma Yuming's research group (CALYPSO structure prediction method and software is the mainstream method and software in the field of international structure prediction. It has been used by more than 600 users in 30 countries and regions).

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