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首页> 外文期刊>Physica, B. Condensed Matter >A sapphire single-crystal cell for in situ neutron powder diffraction of solid-gas reactions
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A sapphire single-crystal cell for in situ neutron powder diffraction of solid-gas reactions

机译:用于原位中子粉末衍射固体气体反应的蓝宝石单晶电池

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摘要

Solid-gas reactions play an important role in many technologically important processes from ore smelting to hydrogen storage and the synthesis of functional materials. In situ investigations are very useful for unraveling basic steps of such reactions, rationalizing them and gaining control. For investigating time-resolved solid-gas reactions, we have constructed a gas pressure cell for elastic neutron diffraction. By proper orientation of a single-crystal sapphire tube as sample holder, Bragg peaks from the container material can be completely avoided, thus yielding high-quality powder diffraction data with very clean diffraction background. This enables the extraction of high precision crystal structure data as a function of gas pressure and temperature (laser heating) in time-resolved studies. The potential of the gas pressure cell is demonstrated by in situ studies of the reaction of solids with hydrogen, which yielded detailed models of the reaction pathways including high quality crystal structures of reaction intermediates and products. These were used to predict successfully the existence of further metal hydrides, to explain unusual bonding properties, and to optimize the synthesis of metastable compounds.
机译:固体气体反应在许多技术重要的过程中起重要作用,从矿石冶炼到储氢和功能材料的合成。原位调查对于解开此类反应的基本步骤非常有用,合理化和获得控制。为了调查时间分辨的固体气体反应,我们已经构成了用于弹性中子衍射的气体压力电池。通过适当取向单晶蓝宝石管作为样品架,可以完全避免来自容器材料的布拉格峰,从而产生高质量的粉末衍射数据,具有非常干净的衍射背景。这使得能够在时间解决的研究中作为气体压力和温度(激光加热)的函数来提取高精度晶体结构数据。通过对氢气的反应的原位研究证明了气体压力电池的电位,其产生了反应途径的详细模型,包括高质量的反应中间体和产物的晶体结构。这些用于预测成功存在进一步的金属氢化物,以解释不寻常的粘合性能,并优化亚稳化合物的合成。

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