Functional materials derived from the schafarzikite mineral framework

如果我们要建立一个清洁和可持续的能源框架，就必须克服许多固有的问题。虽然正在取得进展，但解决方案可能依赖于材料设计中的新概念，而不是对现有材料的改进。这一观点提供了拟议研究背后的基本原理：基于初步令人兴奋的发现，我们将扩展我们对一类具有独特结构特征的材料的研究，这些材料从未被充分利用-甚至没有被充分探索。该研究的重点是一种矿物，schafarzikite，我们的初步研究已被导向引入功能，以提供有用的性能。这一提议源于两个非常令人兴奋的发现：1）我们已经能够将阴离子插入钙法矿框架内的通道中; 2）我们发现了一种含有铁磁性低维氧化铜框架的钙法矿材料。第一个发现表明，这种结构可以对新电极材料和新电解质的能量存储方面做出重要贡献。我们的目标是充分利用这些新材料，并筛选它们作为这些领域的先进材料。该计划以及可能的后续商业化将得到与约翰逊万丰公司合作的协助。第二个研究发现具有学术意义，因为铁磁氧化物非常罕见。然而，额外的兴趣在于低维铜氧化物为在高达133 K的温度下超导的高Tc超导材料提供了基础。然而，所有这些材料都具有反铁磁性的母相，并且这种反铁磁性在超导机制中可能是重要的。因此，对这种特殊材料进行化学处理以引入电子导电性是该计划的主要目标。我们不知道任何研究，涉及电子传导的氧化铜材料与固有的铁磁基态。具有钙钛矿结构的材料已经被广泛研究，并且它们的性质已经导致在许多领域中的应用，包括电化学设备中的电极和电解质。虽然在结构上与钙钛矿非常不同，但功能化它们的性质在概念上类似于钙钛矿系统可以实现的功能：在一个位点的阳离子取代可以用于调节另一个位点的功能性质。然而，以前很少有研究集中在这种结构上。因此，我们将警惕地认识到在计划期间可能变得明显但未包括在上述具体目标中的其他新特征。工作计划的合成方面将通过预测合适的化学目标来提供信息，这些目标是通过与可能的化学成分的稳定性有关的理论计算确定的。

Many inherent problems need to be overcome if we are to approach an energy framework that is both clean and sustainable. Although progress is being made, it is likely that solutions will rely on new concepts in the design of materials rather than improvements to existing materials. This view provides the rationale behind the proposed research: based on preliminary exciting findings, we will extend our studies of a class of materials with unique structural features that have never been fully exploited - nor even fully explored. The research focuses on a mineral, schafarzikite, and our preliminary studies have been directed towards introducing functionality to provide useful properties. This proposal emanates from two highly exciting findings: 1) we have been able to insert anions into channels within the schafarzikite framework; 2) we have discovered a schafarzikite material that contains a low-dimensional copper oxide framework that is ferromagnetic.The first discovery suggests that this structure could make an important contribution to aspects of energy storage, both for new electrode materials and new electrolytes. It is our objective to characterise fully these new materials and screen them for use as advanced materials in these areas. This programme, and possible subsequent commercialisation, will be assisted by a collaboration with Johnson Matthey. The second research finding is of academic interest because ferromagnetic oxides are quite rare. However, added interest attaches to the fact that low dimensional copper oxides provided the basis for the High-Tc superoconducting materials that superconduct at temperatures up to 133 K. However, all these materials have antiferromagnetic parent phases, and this antiferromagnetism is likely to be inportant in the superconductivity mechanism. The chemical manipulation of this particular material to introduce electronic conductivity is therefore a major objective of the programme. We are not aware of any studies that relate to elecronic conduction in copper oxide materials with an inherent ferromagnetic ground state. Materials with the perovskite structure have been studied extensively and their properties have resulted in applications in many areas, including electrodes and electrolytes in electrochemical devices. Although structurally very different from perovskites, functionalising their properties is conceptually similar to that which can be achieved for the perovskite system: cation substitutions at one site can be used to tune the functional properties at the other. However, there has been very little previous research that has focused on this structure. We will therefore be vigilant to recognise other new features that are likely to become apparent during the programme but are not included in the specific targets above.The synthetic aspects of the programme of work will be informed by predictions of suitable chemical targets that have been determined by theoretical calculations relating to the stabilities of possible chemical compositions.