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    Journals >Journal of Inorganic Materials >Volume 39 >Issue 4 >Page 416 > Article
    • Journal of Inorganic Materials
    • Vol. 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|Show fewer author(s)
    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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    DOI: 10.15541/jim20230392 Cite this Article
    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 Copy Citation Text show less
    Adsorption modes and behaviors of C atom on Ir substrate
    1. Adsorption modes and behaviors of C atom on Ir substrate
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    Bonding types of C atoms after the CH3+ ion bombardment with different ion rates
    2. Bonding types of C atoms after the CH3+ ion bombardment with different ion rates
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    Structure of cluster model of diamond (001) and Ir (001) surface as a function of the alignment angle θ=0°, 10°, 25° and 45°
    3. Structure of cluster model of diamond (001) and Ir (001) surface as a function of the alignment angle θ=0°, 10°, 25° and 45°
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    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)
    4. 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)
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    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-----
    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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    Abstract
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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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