Durham University's Core Equipment Award 2022

粉末x射线衍射（PXRD）是了解固态材料结构、性能和功能的最有力技术。一束x射线被射入样品中，出现的图案可以通过空间和能量进行检测和分析，并用于确定样品的许多特性。关键是不需要宏观晶体，而其他许多基于x射线的技术需要宏观晶体。在化学中，它是分析具有新物理性质的新合成或控制形态化合物的主要方法（例如用于能源和环境相关应用的功能材料，如电池材料，燃料电池材料，照明荧光粉和储氧材料）；需要了解环境可持续化学过程和排放控制所需的多相催化剂（沸石、氧化物、纳米颗粒）的结构；它对于理解和控制药物的固体形态至关重要。在凝聚态物理中，PXRD有助于揭示关键的原子重排，这些重排可能伴随着重要的性质变化，如超导性、磁性和skyrmion的形成。在材料科学和工程中，需要对石墨烯及其衍生物和太阳能电池材料等样品进行表征。在地球科学中，它是矿物和粘土含量的相识别和定量以及它们在不同环境条件下如何演变的主要工具，也是建筑环境等领域的重要考虑因素。在EPSRC的直接职权范围之外，尽管与EPSRC和BBSRC共同支持的多学科研究联系在一起，但在生物科学领域，即使是蛋白质结构也可以通过粉末衍射来解决。这项技术在文化遗产中越来越重要，例如最近达勒姆大学对古代手稿颜料的研究，以及考古陶瓷的来源和生产过程的研究，这些仪器都是由EPSRC资助开发的，用于特定的应用。

Powder X-ray Diffraction (PXRD) is the most powerful technique for understanding the structure, properties and function of solid-state materials. A beam of X-rays is directed into the sample and the emerging pattern can be detected and analysed both spatially and by energy and used to determine many properties of the sample. Crucially a macroscopic crystal is not required which is needed in many other X-ray based techniques.In chemistry it is the primary method for analysing newly-synthesised or controlled-morphology compounds with novel physical properties (e.g. functional materials for energy- and environment-related application, such as battery materials, fuel cell materials, lighting phosphors and oxygen storage materials); it's required to understand the structures of heterogeneous catalysts (zeolites, oxides, nanoparticles) needed for environmentally sustainable chemical processes and emissions control; and it is crucial for understanding and controlling the solid form of pharmaceuticals. In condensed matter physics, PXRD helps unravel the crucial atomic rearrangements that might accompany important property changes such as superconductivity, magnetism and skyrmion formation. In materials science and engineering it's needed to characterise samples such as graphene and its derivatives and solar cell materials. In earth sciences it is the principal tool for phase identification and quantification of minerals and clay content and how they evolve under different environmental conditions and is an important consideration in areas such as the built environment. Outside the direct EPSRC remit, though linked through multidisciplinary research that is supported by both EPSRC and BBSRC, in biosciences, even protein structures have been solved by powder diffraction. The technique is of increasing importance in cultural heritage, as exemplified by recent Durham research highlights on ancient manuscript pigments and the provenance and production processes of archaeological ceramics where instrumentation has been developed with EPSRC funding for specific applications.