论文标题
用于能量科学的唯一和虹膜复合物的计算研究和绿色替代方案的进展
Computational Studies of Ruthenium and Iridium Complexes for Energy Sciences and Progress on Greener Alternatives
论文作者
论文摘要
能源科学试图通过新的能源，新的替代能源以及更有效地利用可用的能源来满足全球对能源以及可持续性目标的日益增长的需求。这些目标与绿色化学原则完全一致。本章涉及从光中创造电力并从电力产生光的设备。主要的重点是唯一和虹膜络合物的光透明质，这些复合物已被证明是构思光活化装置的丰富灵感来源，包括有机光伏（OPV）细胞以及发射二极管（OLEDS）的有机光。本章回顾了基于ruthenium和基于复杂的光deDEVICES的重要用途和潜在应用，包括其功能背后的基本机制以及通过计算化学方法进行研究。它突出了从计算研究中获得的信息的作用，以设计更有效的光悬极。最后一部分通过回顾OPV和OLED的绿色替代方案的进度来补充论述。
The energy sciences attempt to meet the increasing world-wide need for energy, as well as sustainability goals, by cleaner sources of energy, by new alternative sources of energy, and by more efficient uses of available energy. These goals are entirely consistent with the principles of green chemistry. This chapter concerns devices for creating electricity from light and for creating light from electricity. The major focus is on the photoproperties of ruthenium and iridium complexes, which have been proven to be a rich source of inspiration for conceiving photoactivated devices, including organic photovoltaic (OPV) cells and organic light emitting diodes (OLEDs). The chapter reviews important already-in-use and potential applications of ruthenium and iridium complex-based photodevices, including the underlying mechanism behind their functioning and its investigation through computational chemistry approaches. It highlights the role of the information obtained from computational studies for the design of more efficient photodevices. The final part complements the discourse with a review of the progress on greener alternatives for OPVs and OLEDs.
