Atomic-Level Insight into Photoinduced Transformations in Perovskite Optoelectronics

钙钛矿光电子学中光致转变的原子级洞察

• 批准号: EP/Y01376X/1
• 负责人: Dominik Kubicki
• 金额: $ 264.45万
• 依托单位: University of Birmingham
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2023
• 资助国家: 英国
• 起止时间: 2023 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FY01376X%2F1
• 关键词: Atomic; Level; Insight; into; Photoinduced

The climate emergency makes the search for new more efficient energy materials imperative. Metal halide perovskites (MHPs) belong to a class of materials promising highly efficient, affordable, and lightweight solar cells and light emitting diodes. One of the key challenges is that these materials are remarkably sensitive to ambient conditions and readily undergo chemical transformations in the presence of oxygen, humidity and under illumination. While these processes can be either pernicious or beneficial, very little is known about their atomic- level mechanism, which makes it difficult to rationally design mitigation strategies. PhotoPeroNMR sets out to address this challenge by using a combination of highly efficient synthetic approaches and solid-state Magic Angle Spinning (MAS) Nuclear Magnetic Resonance (NMR). The project will study the reactivity of MHP surfaces with ambient gases, identify the chemistries of the surface species across a wide range of structurally diverse materials relevant to optoelectronics, including lead and lead-free perovskites and double perovskites. Next, it will develop a strategy to access atomic-level (local) structural data from MHPs in their form directly relevant to optoelectronics, intact optoelectronic devices. It will develop a strategy to illuminate MHPs in a variety of atmospheres and study the microscopic mechanism of the resulting transformations. Finally, it will elucidate the local structural changes taking place in devices under illumination using operando NMR. The combined knowledge obtained here will serve to formulate rational design principles enabling the design of passivation agents with improved characteristics. This local structure characterization framework will provide an underpinning microscopic insight into the most successful materials, naturally combining the effects of intentional and unintentional surface passivation, photoinduced effects, and interactions with the neighboring device layers.

气候紧急情况使得寻找新的更高效的能源材料势在必行。金属卤化物钙钛矿（MHP）属于一类有望实现高效、经济且轻质的太阳能电池和发光二极管的材料。关键挑战之一是这些材料对环境条件非常敏感，并且在氧气、湿度和光照下容易发生化学转变。虽然这些过程可能有害，也可能有益，但人们对它们的原子级机制知之甚少，这使得合理设计缓解策略变得困难。 PhotoPeroNMR 着手通过结合使用高效合成方法和固态魔角旋转 (MAS) 核磁共振 (NMR) 来应对这一挑战。该项目将研究 MHP 表面与环境气体的反应性，识别与光电子学相关的各种结构多样的材料的表面物种的化学性质，包括铅和无铅钙钛矿和双钙钛矿。接下来，它将制定一项策略，以与光电子学、完整光电器件直接相关的形式从 MHP 获取原子级（局部）结构数据。它将制定一种策略来照亮各种大气中的 MHP，并研究由此产生的转变的微观机制。最后，它将使用原位核磁共振阐明照明下器件中发生的局部结构变化。这里获得的综合知识将有助于制定合理的设计原则，从而能够设计出具有改进特性的钝化剂。这种局部结构表征框架将为最成功的材料提供基础的微观洞察，自然地结合有意和无意的表面钝化、光致效应以及与相邻器件层的相互作用的影响。