Quantifying the role of quantum coherence in organic photovoltaic cells

休斯顿大学的Eric Bittner获得了化学系化学理论、模型和计算方法项目的奖励，以开发和应用理论方法来研究光伏设备。基于半导体聚合物和富勒烯衍生物混合物的光伏二极管现在在标准太阳能照明下产生超过10%的功率转换效率。Bittner和他的同事们探索了量子效应在有机聚合物光伏系统中的作用，这是目前太阳能转换技术的兴趣所在。这项工作结合了精确的量子化学方法和一种基于b谷歌和Netflix等互联网搜索引擎使用的新搜索算法。这些方法用于发现促进光激发分子中特定量子跃迁的最佳核运动。这项工作将有助于实现无碳经济和减少温室气体排放的目标。Bittner还在开发纠缠光子光谱学理论，这是一个在开发量子加密设备方面具有巨大潜力的新领域。这些设备将成为未来网络安全应用的关键技术组件。量子力学态之间的相干性是分子系统中两个电子构型之间跃迁的内在和决定性组成部分。通过量化相干性的作用，并提供多维系统中电子转移反应坐标的精确定义，这项工作产生的理论方法和分析将为材料科学家和合成化学家提供另一种控制电子和能量转移事件的速率和途径的手段，这两者都是一系列重要化学和生物过程的触发因素。这项工作的一个关键组成部分将是发展涉及纠缠光子和量子光学作为化学动力学探针的新型光谱技术。Bittner研究小组正在开发一个健全的理论框架，将光子巧合计数与分子水平过程联系起来，特别强调探测集体多体光物质激发。该项目的这一部分将对量子通信和加密设备的发展产生影响。这是实施下一代网络安全技术的关键组成部分。

Eric Bittner of the University of Houston is supported by an award from the Chemical Theory, Models and Computational Methods program in the Division of Chemistry to develop and apply theoretical approaches to study photovoltaic devices. Photovoltaic diodes based on blends of semiconductor polymers and fullerene derivatives now produce power conversion efficiencies exceeding 10% under standard solar illumination. Bittner and his coworkers explore the role of quantum effects in organic polymer-based photovoltaic systems that are of current interest for solar conversion technologies. The proposed work combines accurate quantum chemical methods and a novel search algorithm based loosely upon those used by internet search engines such as Google and Netflix. These methods are used to discover the optimal nuclear motions that facilitate specific quantum transitions in photoexcited molecules. This work will help to reach the goal of a carbon-free economy and reduction of greenhouse gas emissions. Bittner is also developing a theory of entangled photons spectroscopy, a new field with tremendous potential for developing quantum encryption devices. Such devices will be key technological components in future cybersecurity applications.Coherence between quantum mechanical states is an intrinsic and defining component of the transition between two electronic configurations in a molecular system. By quantifying the role of coherence and providing a precise definition of the electron transfer reaction coordinate in a multi-dimensional system, the theoretical methods and analysis produced by this work will give materials scientists and synthetic chemists another means of control of both the rates and pathways for electron and energy transfer events, both of which are triggers for a whole host of important chemical and biological processes. A crucial component of this work will be the development of novel spectroscopic techniques involving entangled photons and quantum optics as probes of chemical dynamics. The Bittner research group is developing a sound theoretical framework connecting photon coincidence counts to molecular-level processes with specific emphasis towards probing collective many-body light-matter excitations. This component of the project will have ramifications in the development of quantum communication and encryption devices?a crucial component in the implementation of the next generation of cybersecurity technologies.