국가지식-학술정보
The Bonding of Interstitial Hydrogen in the NiTi Intermetallic Compound
The Bonding of Interstitial Hydrogen in the NiTi Intermetallic Compound
- 대한화학회
- Bulletin of the Korean Chemical Society
- Vol.27 No.12
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2006.012045 - 2050 (6 pages)
- 0
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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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