3D-Localisation - Three Dimensionally Defined Non-Fullerene Acceptors

3D 定位 - 三维定义的非富勒烯受体

基本信息

批准号：
EP/T028688/2
负责人：
Iain Wright
金额：
$ 6.53万
依托单位：
University of Edinburgh
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2022
资助国家：
英国
起止时间：
2022 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FT028688%2F2
关键词：
3D Localisation Three Dimensionally Defined

项目摘要

Sunlight presents an essentially infinite source of energy. Converting it into electricity, heat, or chemical energy is among the most appealing and effective approaches to tackling the energy crisis and reducing the impact of human activity induced climate change. Organic solar cells are one emerging technology that can aid in the transition to a renewable economy. They are lightweight, flexible devices which utilise readily available organic molecules and can be processed by energy-efficient, non-thermal methods unlike traditional silicon devices. The development of these devices has relied upon fullerenes as electron acceptor materials.Fullerenes are molecular forms of carbon with a spherical, soccer ball-like geometry which gives rise to delocalisation of electrons across the entire surface of the molecule. This structure attributes fullerene with a variety of unique properties, they can reversibly accept up to six electrons and can transport charges efficiently in three dimensions. However, it is now well-established that using fullerenes places strict limitations on organic solar cell performance. Fullerenes absorb sunlight only poorly and they participate in processes which are destructive to the device while under operation. Compounding this, they are expensive to produce and purchase, and are extremely challenging to chemically modify with any degree of control. This means that their optical and electronic properties cannot be easily tuned for solar cells or any other specific application. Ultimately, the use of fullerenes is non-sustainable therefore new non-fullerene acceptors are urgently required if these green energy technologies are to realise their full potential.This project takes a holistic view of the beneficial and detrimental properties of fullerenes and will use this approach to produce a completely new class of non-fullerene acceptors. These will serve to impact hugely on the delivery of renewable energy sources. There are two key facets to this approach:1) The use of three-dimensional molecular structures as a central scaffold. These will facilitate electronic delocalisation in three dimensions.2) By attaching selected heterocyclic side groups to these scaffolds, solar absorbance will be maximised, and the electrochemical and morphological properties of these new molecules will be controlled in a facile manner.This represents a step-change in the development of useful non-fullerene acceptors. A new generation of molecular materials for use in energy conversion technologies will be produced, and design rules for attaining truly fullerene-like behaviour in general, and for any application, will be established. In contrast with much of the existing work on organic electronic materials, which focusses upon molecules and polymers composed of planar heterocyclic fragments, exploring chemical space in three dimensions is key to the work proposed here. This adds significantly to the novelty of our approach.

阳光基本上是无限的能源。将其转化为电力，热量或化学能量是应对能源危机并减少人类活动影响的最具吸引力，最有效的方法之一。有机太阳能电池是一种新兴技术，可以帮助过渡到可再生经济。它们是轻巧，柔性的设备，可利用易于可用的有机分子，并且可以通过能效，非热方法处理，与传统的硅设备不同。这些设备的开发依赖于富勒烯，因为电子受体材料是碳的分子形式，具有球形，足球样的几何形状，从而引起了整个分子表面的电子的离域化。这种结构将富勒烯具有多种独特的属性归因，它们可以可逆地接受多达六个电子，并且可以在三个维度上有效地运输电荷。但是，现在良好的是，使用富勒烯对有机太阳能电池性能施加了严格的限制。富勒烯吸收阳光只能很差，他们参与了在运行中对设备破坏性的过程。将其更加复杂，它们的生产和购买价格昂贵，并且以任何程度的控制能力进行化学修改非常具有挑战性。这意味着它们的光学和电子特性无法轻松地针对太阳能电池或任何其他特定应用调整。最终，如果这些绿色能源技术要实现其全部潜力，则迫切需要使用富勒烯的使用是不可持续的。该项目对富勒烯的有益和有害的特性有整体的看法，并将使用这种方法来产生一种全新的非熟烯受益者。这些将对可再生能源的交付产生巨大影响。这种方法有两个关键的方面：1）将三维分子结构用作中央支架。 2）通过将选定的杂环侧组连接到这些脚手架上，将最大化太阳能吸光度，并将这些新分子的电化学和形态学特性最大化，将以一种巧妙的方式控制这些新分子。这代表有用的非元素的开发者，这些新分子将得到最大的控制。将生产新一代用于能源转化技术的分子材料，并将确定实现真正的富勒烯样行为的设计规则，并且将建立任何应用。与许多有关有机电子材料的现有工作相反，有机电子材料的重点是由平面杂环片段组成的分子和聚合物，在三维中探索化学空间是此处提出的工作的关键。这大大增加了我们方法的新颖性。