Interdisciplinary Studies to Characterise and Optimise Novel Apatite-Type Fast-Ion Conductors

拟议的研究将建立在以前的成功与新的磷灰石型离子导体的实验和计算研究相结合的方案，这是吸引了相当大的世界范围内的关注。与传统的萤石和钙钛矿型氧化物离子导体相反，它们通过空位机制进行传导，目前的证据表明，这些磷灰石系统通过氧化物晶体进行传导，正如我们在Si基系统的初始建模研究中首次报道的那样。这个跨学科的项目将通过对新型含锗磷灰石材料的新的冒险研究来扩展我们的国际领先研究，这种材料具有更高的离子电导率，但尚未得到广泛的研究。因此，需要立即研究评估其真正潜力。这种材料合成和表征（萨里），核磁共振（沃里克）和计算机建模（巴斯）的强大组合将为潜在的技术应用（如固体氧化物燃料电池）提供更深入的了解这些令人兴奋的材料。我们在离子传输研究方面的丰富经验和过去的成功使我们在解决关键问题方面处于有利地位。在许多情况下，我们的项目将是这种类型的第一次调查。

The proposed research will build upon previous success with a combined programme of experimental and computational studies of novel apatite-type ionic conductors, which are attracting considerable worldwide attention. Contrary to the traditional fluorite and perovskite-type oxide ion conductors, which conduct via a vacancy mechanism, the current evidence indicates that these apatite systems conduct via oxide interstitials, as first reported in our initial modelling study of the Si-based systems. This interdisciplinary project will extend our internationally leading research through new adventurous studies of novel Ge-containing apatite materials, which offer higher ionic conductivities, but have been less widely investigated. Evaluation of their true potential therefore requires immediate study. This powerful combination of materials synthesis and characterisation (at Surrey), NMR (Warwick) and computer modelling (Bath) will provide deeper insight into these exciting materials for potential technological applications (such as solid oxide fuel cells). Our considerable experience and past success in ion transport studies places us in a strong position to address key issues. In many instances, our project will be the first investigation of this type.