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Understanding the Local Atomic Level Effects of Dopants In Complex Metal Hydrides Using Synchrotron Xray Absorption Spectroscopy and Density Functional Theory, (Final Report).

机译：使用同步辐射X射线吸收光谱和密度泛函理论了解复杂金属氢化物中掺杂剂的局部原子水平效应，（最终报告）。

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Since the discovery of catalytic effects in transition metal doped sodium alanate (NaAlH4) powders by Bogdanovic and Schwickardi, dopant effects in these powders has been studied in an effort to understand and optimize doping strategies to control kinetic barriers to hydrogen release from alanate powders. X-ray absorption spectroscopy has been used to characterize the local environment of dopant cations in efforts to elucidate dopant effects.

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作者
Dobbins, M.;
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年度 2013
页码 1-39
总页数 39
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Doping; Metal hydrides; Absorption spectroscopy; Density functional theory; Catalysts; Hydrogen; Kinetics; Powders; X-ray spectroscopy; Alanate powders;

机译：掺杂;金属氢化物;吸收光谱;密度泛函理论;催化剂;氢;动力学;粉末; X射线光谱;丙氨酸粉末;

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机译：结构性CO抑制型Mo-固氮酶的表征结合使用核共振振动光谱法扩展的X射线吸收精细结构和密度泛函理论：关于CO结合作用和作用的新见解间质原子
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机译：利用同步X射线吸收光谱和密度泛函理论研究复合金属氢化物中掺杂剂的局部原子水平效应

Understanding the Local Atomic Level Effects of Dopants In Complex Metal Hydrides Using Synchrotron Xray Absorption Spectroscopy and Density Functional Theory, (Final Report).

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