Multi-Scale Modelling of Hybrid Perovskites for Solar Cells

开发混合卤化物钙钛矿太阳能电池作为现有技术的可行替代方案的开创性研究为英国在光伏发展中保持高度竞争地位创造了独特的机会。我们站在建模工作的前沿，以了解这些系统的基本属性。该项目的主要目标是建立对有机-无机钙钛矿技术的基本理解，确定加快技术发展的新目标材料，同时开发适用于整个固态材料研究领域的计算工具。我们的团队汇集了光伏、材料设计和理论固态物理方面的全面专业知识。该联盟包括两所装备精良的大学，并为材料建模提供专业知识和基础设施的强大组合，以混合光伏领域突破性发现所需的方式，将模拟水平从基础理论连接到高通量筛选。通过与EPSRC SUPERSOLAR中心(EP/J017361/1)提供的实验小组的链接，将加强可用于研究方案的设施和专门知识。通过将主要研究主题与我们的研究生方案和博士培训中心联系起来，将实现临界质量和培训目标。

Pioneering research into the development of hybrid halide perovskite solar cells as a viable alternative to existing technology has established a unique opportunity for the UK to maintain a highly competitive position in the development of photovoltaics. We are at the forefront of modelling work to understand the fundamental properties of these systems. The principle goal of the project is to establish a fundamental understanding of organic-inorganic perovskite technologies, identifying new target materials to accelerate technological development, whilst developing computational tools applicable across the entire field of solid-state materials research. Our team draws together a comprehensive range of expertise in photovoltaics, materials design and theoretical solid-state physics. The consortium involves two well-equipped universities and offers a powerful combination of expertise and infrastructure for materials modelling, bridging levels of simulation from fundamental theory to high-throughput screening, in the manner required for breakthrough discoveries in the field of hybrid photovoltaics. The facilities and expertise available for the research programme will be enhanced by links to experimental groups provided by the EPSRC SUPERSOLAR Hub (EP/J017361/1). Critical mass and training targets will be achieved by linking the main research theme through our graduate programmes and Centres for Doctoral Training.