Investigation into the Electronic & Opto-Electronic Properties of Pristine and Doped BN Nanotubes

这项工作的重点是建立新的化学方法来产生低维纳米结构，它们的特性，并在设备技术中实现。碳纳米管和其他纳米线状结构的性能受到其化学成分和结构的严格控制。纳米材料设计研究小组在碳纳米管和掺杂碳纳米管的大规模生产方面取得了很大进展，从而为设计出可用于一系列不同器件的新型功能材料铺平了道路。最先进的化学气相沉积合成技术与现场监测技术相结合，使我们能够设计碳纳米管和其他材料中的掺杂水平。这种多功能纳米材料也可以嵌入复合材料中。例如，轻质、坚固、导热且绝缘的复合材料。具有这些特性的材料在下一代电池应用、汽车工业、航空、光伏和空间应用中备受追捧。为了实现对这些材料物理性质的最佳控制，太赫兹光谱技术将用于纳米结构集成的稳健表征。然后，这些实验结果将由最先进的密度泛函理论计算来补充，以验证这些发现，并更好地了解不同掺杂剂如何改变物理性质、结构和稳定性。通过相应的密度泛函紧密结合分子动力学模拟，可以跟踪纳米结构对掺杂剂引入的动态响应。这将为探索掺杂剂和修改合成方法提供反馈回路，以迭代的方式，以优化复合材料的期望性能。这项工作将分别与太赫兹光谱学和材料建模领域的国际领先专家合作进行。此外，该研究小组拥有一系列工业合作者，一旦六边形纳米材料的定制功能化取得进展，将寻求特定的潜在应用。传统上，纳米材料设计研究小组的学生被鼓励在可行的情况下与学术合作者和行业合作伙伴进行合作。该研究项目属于EPSRC能源、工程、医疗保健技术、未来制造、物理科学研究领域。

The focus of this work is to establish novel chemical means to generate low-dimensional nanostructures, their characterisation, and implementation in device technologies. The properties of carbon nanotubes and other nanowire-like structures, are strictly controlled by the chemical composition and structure. The Nanomaterials by Design research team has made much progress with the larger scale production of carbon nanotubes and doped carbon nanotubes, hence paving the way to engineering novel functional materials containing that could be used in a series of different devices.State-of-the-art chemical vapour deposition synthesis techniques in conjunction with in situ monitoring technologies allow us to engineer the dopant levels in carbon nanotubes and other materials. Such multi-functional nanomaterials can also be embedded in composite materials. For example, composite materials that are lightweight, strong, and thermally conducting yet electrically insulating. Materials with these properties are highly sought for next generation battery applications, automotive industries, aeronautics, photovoltaics, and space applications.In order to achieve optimum control over the physical properties of these materials, THz spectroscopy techniques will be employed for the robust characterisation of nanostructure ensembles. These experimental results will then be complemented by state-of-the-art density functional theory calculations in order to verify the findings and to gain better insight on how different dopants alter the physical properties, structure and stability. Through corresponding density functional tight-binding molecular dynamics simulations the dynamic response of the nanostructures to the introduction of the dopants can be followed. This will provide a feedback loop for exploration of the dopants and modification of the synthesis approach, in an iterative fashion, in order to optimise the desired properties of the composite materials.The work will be conducted in collaboration with internationally leading experts in the fields of Terahertz spectroscopy and materials modelling respectively. Moreover, the research group has a range of industrial collaborators and specific potential applications will be sought once progress has been made with the tailored functionalisation of hexagonal nanomaterials. Traditionally, the students of the Nanomaterials of Design research group are encouraged to engage with academic collaborators as well as industry partners whenever feasible.This research project falls within the EPSRC Energy, Engineering, Healthcare technologies, Manufacturing the future, Physical sciences research areas.