Journal of Inorganic Materials, Volume. 39, Issue 4, 416(2024)

Heteroepitaxial Diamond Nucleation and Growth on Iridium: First-principle Calculation

Weihua WANG1, Leining ZHANG2, Feng DING3、*, Bing DAI4、*, Jiecai HAN4, Jiaqi ZHU4, Yi JIA1, and Yu Yang5
Author Affiliations
  • 11. China Aerospace Science and Technology Innovation Research Institute, China Aerospace Science and Technology Corporation, Beijing 100176, China
  • 22. School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing 102488, China
  • 33. Faculty of Materials Science and Engineering/Institute of Technology for Carbon Neutrality, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China
  • 44. National Key Laboratory of Special Environment of Composite Technology, Harbin Institute of Technology, Harbin 150001, China
  • 55. Beijing Institute of Control Engineering, Beijing 100190, China
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    Figures & Tables(5)
    Adsorption modes and behaviors of C atom on Ir substrate
    Bonding types of C atoms after the CH3+ ion bombardment with different ion rates
    Structure of cluster model of diamond (001) and Ir (001) surface as a function of the alignment angle θ=0°, 10°, 25° and 45°
    Binding energy for the diamond-Ir system as a function of the alignment angle θ (a), and SEM surface morphology of diamond grains on Ir (001) surface (b)
    • Table 1. Carbon atom number and sp3-bonded carbon number in the a-C:H layer after the CH3+ ion bombardment with different rates

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      Table 1. Carbon atom number and sp3-bonded carbon number in the a-C:H layer after the CH3+ ion bombardment with different rates

      Ion rate0.005 nm/fs0.011 nm/fs0.019 nm/fs0.025 nm/fs0.030 nm/fs0.035 nm/fs
      NumberStepCatomsp3-CatomCatomsp3-CatomCatomsp3-CatomCatomsp3-CatomCatomsp3-CatomCatomsp3-Catom
      2500404060606060
      5000907190110110110
      750060131150150170171
      10000-163211172202231
      12500214221182230261
      15000175-----
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    Weihua WANG, Leining ZHANG, Feng DING, Bing DAI, Jiecai HAN, Jiaqi ZHU, Yi JIA, Yu Yang. Heteroepitaxial Diamond Nucleation and Growth on Iridium: First-principle Calculation[J]. Journal of Inorganic Materials, 2024, 39(4): 416

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    Paper Information

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    Received: Aug. 30, 2023

    Accepted: --

    Published Online: Jul. 8, 2024

    The Author Email: Feng DING (f.ding@siat.ac.cn), Bing DAI (daib@hit.edu.cn)

    DOI:10.15541/jim20230392

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