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

3D 定位 - 三维定义的非富勒烯受体

• 批准号: EP/T028688/1
• 负责人: Iain Wright
• 金额: $ 34.14万
• 依托单位: Loughborough University
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2021
• 资助国家: 英国
• 起止时间: 2021 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FT028688%2F1
• 关键词: 3D; Localisation; Three; Dimensionally; Defined

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.

从本质上讲，阳光是一种无限的能源。将其转化为电能、热能或化学能是应对能源危机和减少人类活动引起的气候变化影响的最有吸引力和最有效的方法之一。有机太阳能电池是一种新兴技术，可以帮助向可再生经济转型。与传统的硅设备不同，它们是轻巧、灵活的设备，利用容易获得的有机分子，可以通过节能、非加热的方法进行处理。这些器件的发展依赖于富勒烯作为电子受体材料。富勒烯是碳的分子形式，具有球形、足球般的几何形状，导致电子在整个分子表面离域。这种结构使富勒烯具有各种独特的性质，它们可以可逆地接受多达六个电子，并可以在三维空间有效地传输电荷。然而，现在公认的是，使用富勒烯会对有机太阳能电池的性能造成严格的限制。富勒烯对阳光的吸收很差，而且它们在运行时参与了对设备具有破坏性的过程。此外，它们的生产和购买成本都很高，而且在任何程度的控制下进行化学修饰都是极具挑战性的。这意味着它们的光学和电学特性不能很容易地针对太阳能电池或任何其他特定应用进行调整。最终，富勒烯的使用是不可持续的，因此，如果这些绿色能源技术要实现其全部潜力，迫切需要新的非富勒烯受体。本项目从整体上看待富勒烯的有益和有害性质，并将使用这种方法来生产一类全新的非富勒烯受体。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方面：1)使用三维分子结构作为中心支架。这将促进电子在三维空间的离域。2)通过将选定的杂环侧基团连接到这些支架上，太阳的吸收将被最大化，这些新分子的电化学性质和形态性质将以一种容易的方式被控制。这代表着有用的非富勒烯受体的发展的一步变化。将生产用于能量转换技术的新一代分子材料，并将建立设计规则，以实现总体上真正的富勒烯行为，以及任何应用。与现有的许多有机电子材料方面的工作不同，这些工作集中在由平面杂环片段组成的分子和聚合物上，而在三维空间探索化学空间是这里提出的工作的关键。这大大增加了我们方法的新颖性。

项目成果

The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push-pull chromophores.

激发态特征、结构弛豫和对称性破缺在推拉发色团延迟荧光活性中的作用。

• DOI: 10.1039/d1cp03792g
• 发表时间: 2021
• 期刊: PCCP
• 作者: Kimber P

Simultaneous enhancement of thermally activated delayed fluorescence and photoluminescence quantum yield via homoconjugation

通过同共轭同时增强热激活延迟荧光和光致发光量子产率

• DOI: 10.33774/chemrxiv-2021-p3h9s
• 发表时间: 2021
• 作者: Montanaro S

The role of excited-state character, structural relaxation, and symmetry breaking in enabling delayed fluorescence activity in push-pull chromophores

激发态特征、结构弛豫和对称性破缺在推拉发色团延迟荧光活性中的作用

• DOI: 10.26434/chemrxiv-2021-b3jfg
• 发表时间: 2021
• 作者: Kimber P

A solution-processable near-infrared thermally activated delayed fluorescent dye with a fused aromatic acceptor and aggregation induced emission behavior

• DOI: 10.1039/d1tc04753a
• 发表时间: 2022-01-07
• 期刊: JOURNAL OF MATERIALS CHEMISTRY C
• 影响因子: 6.4
• 作者: Congrave, Daniel G.;Drummond, Bluebell H.;Bronstein, Hugo
• 通讯作者: Bronstein, Hugo