Serial snapshot crystallography for materials science with SwissFEL.
Serial snapshot crystallography for materials science with SwissFEL.
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DOI：
10.1107/s2052252515006740
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发表时间：
2015-05-01
期刊：
影响因子：
3.9
通讯作者：
McCusker LB
中科院分区：
文献类型：
--
作者：
Dejoie C;Smeets S;Baerlocher C;Tamura N;Pattison P;Abela R;McCusker LB
我们在同步加速器上模拟了SwissFEL光束的4%能量带通模式，收集了随机取向的多晶体样品的快照，并开发了一种方法来索引和处理这种非单色数据，用于材料科学应用。目前正在瑞士建造的X射线自由电子激光器(XFEL)将于2017年上线，届时将为研究具有有机和无机小单元的(亚)微晶材料提供新的机会。我们基于同步加速器的实验模拟了SwissFEL光束的4%能量带通模式，表明在一次快照中可以记录多达10个随机取向晶体的衍射图，索引所产生的反射，并可靠地提取它们的强度。每次XFEL脉冲都会破坏晶体，但通过组合几组晶体的快照，可以组装完整的数据集，否则很难分析的材料的晶体结构将变得可用。即使只需要一次射击，至少可以对晶体结构进行部分分析，而在10-50个飞秒脉冲的情况下，这为时间分辨研究提供了诱人的可能性。
We have mimicked the 4%-energy-bandpass mode of the SwissFEL beam at a synchrotron facility, collected snapshots of randomly oriented multi-crystal samples, and developed a methodology to index and process such non-monochromatic data for materials science applications. New opportunities for studying (sub)microcrystalline materials with small unit cells, both organic and inorganic, will open up when the X-ray free electron laser (XFEL) presently being constructed in Switzerland (SwissFEL) comes online in 2017. Our synchrotron-based experiments mimicking the 4%-energy-bandpass mode of the SwissFEL beam show that it will be possible to record a diffraction pattern of up to 10 randomly oriented crystals in a single snapshot, to index the resulting reflections, and to extract their intensities reliably. The crystals are destroyed with each XFEL pulse, but by combining snapshots from several sets of crystals, a complete set of data can be assembled, and crystal structures of materials that are difficult to analyze otherwise will become accessible. Even with a single shot, at least a partial analysis of the crystal structure will be possible, and with 10–50 femtosecond pulses, this offers tantalizing possibilities for time-resolved studies.