The Bonding of Interstitial Hydrogen in the NiTi Intermetallic Compound

Dae-Bok Kang

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The Bonding of Interstitial Hydrogen in the NiTi Intermetallic Compound

机译：NiTi金属间化合物中间隙氢的键合

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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 T14N12 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.

机译：通过EH紧密键合方法研究了NiTi固体中的间隙氢键及其对金属-金属键的影响。还使用簇模型计算了中心具有氢和不具有氢的八面体簇T14N12的电子结构与H 1s相互作用的金属d状态主要是金属-金属键合。随着形成新的金属-氢键，金属-金属键合强度降低，详细分析了这种键合减弱的原因。

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《Bulletin of the Korean Chemical Society 》 |2006年第12期| 共6页
作者
Dae-Bok Kang;
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原文格式 PDF
正文语种 eng
中图分类化学工业 ;
关键词
Metal hydrides; Electronic structure; Bonding;

机译：金属氢化物;电子结构;键合;

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1. The Bonding of Interstitial Hydrogen in the NiTi Intermetallic Compound [J] . Dae-Bok Kang Bulletin of the Korean Chemical Society . 2006 ,第12期

机译：NiTi金属间化合物中间隙氢的键合
2. Crystal chemistry and metal-hydrogen bonding in anisotropic and interstitial hydrides of intermetallics of rare earth (R) and transition metals (T), RT3 and R2T7 [J] . Yartys VA, Vajeeston P, Riabov AB, Zeitschrift fur Kristallographie: International Journal for Structural, Physical, and Chemical Aspects of Crystalline Materials . 2008 ,第10期

机译：稀土（R）和过渡金属（T），RT3和R2T7的金属间化合物的各向异性和间隙氢化物中的晶体化学和金属氢键
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4. NOVEL HYDRIDES WITH Al-H BONDING SYNTHESIZED BY HYDROGENATION OF INTERMETALLIC COMPOUNDS [C] . Etsuo Akiba, Zhang Qing An, Yumiko Nakamura TMS(The Minerals, Metals amp; Materials Society) Annual Meeting and Symposium on Advanced Materials for Energy Conversion II; 20040314-20040318; Charlotte,NC; US . 2004

机译：金属间化合物加氢合成Al-H键合的新型氢化物
5. A STUDY OF SOME INTERMETALLIC COMPOUNDS IN CONNECTION WITH THE CATALYTIC HYDROGENATION OF CARBON MONOXIDE (METHANOL SYNTHESIS). [D] . FRANCE, JOHN EARL. 1982

机译：关于一氧化碳催化加氢（甲醇合成）的一些金属间化合物的研究。
6. Extraordinarily large kinetic isotope effect on alkene hydrogenation over Rh-based intermetallic compounds [O] . Shinya Furukawa, Pingping Yi, Yuji Kunisada, 2019

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7. On the Versatility of BH2 X (X=F, Cl, Br, and I) Compounds as Halogen-, Hydrogen-, and Triel-Bond Donors: An Ab Initio Study [O] . Antonio Bauzá, Antonio Frontera 2016

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8. Influence of interstitial solutions (H, N) on cerium electronic state in Ce-Fe intermetallic compounds: X-ray Absorption Spectroscopy (XAS) study [R] . Chaboy, J. , Marcelli, A. , Bozukov, L. 1995

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The Bonding of Interstitial Hydrogen in the NiTi Intermetallic Compound

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