Bulletin of the Korean Chemical Society

  • 제27권12호
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  • Pages.2045-2050
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  • 2006
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  • 0253-2964(pISSN)
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  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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The Bonding of Interstitial Hydrogen in the NiTi Intermetallic Compound

  • 발행 : 2006.12.20
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초록

The interstitial hydrogen bonding in NiTi solid and its effect on the metal-to-metal bond is investigated by means of the EH tight-binding method. Electronic structures of octahedral clusters $Ti_4Ni_2$ with and without hydrogen in their centers are also calculated using the cluster model. The metal d states that interact with H 1s are mainly metal-metal bonding. The metal-metal bond strength is diminished as the new metal-hydrogen bond is formed. The causes of this bond weakening are analyzed in detail.

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참고문헌

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피인용 문헌

  1. Tensile behaviour of superelastic NiTi alloys charged with hydrogen under applied strain vol.33, pp.13, 2017, https://doi.org/10.1080/02670836.2017.1320084
  2. The Bonding of Interstitial Hydrogen in the NiTi Intermetallic Compound vol.38, pp.11, 2007, https://doi.org/10.1002/chin.200711002
  3. Theoretical Study of the Interaction of N2O with Pd(110) vol.28, pp.12, 2006, https://doi.org/10.5012/bkcs.2007.28.12.2369
  4. The location of atomic hydrogen in NiTi alloy: A first principles study vol.50, pp.3, 2006, https://doi.org/10.1016/j.commatsci.2010.10.013
  5. Ab initiostudy of point defects in NiTi-based alloys vol.89, pp.1, 2014, https://doi.org/10.1103/physrevb.89.014110
  6. A Practitioner’s Perspective of Hydrogen in Ni-Ti Alloys vol.5, pp.3, 2006, https://doi.org/10.1007/s40830-019-00225-6