Electronic States of Quinones for Organic Energy Devices: The Effect of Molecular Structure on Electrochemical Characteristics
Electronic States of Quinones for Organic Energy Devices: The Effect of Molecular Structure on Electrochemical Characteristics
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DOI：
10.1021/acsaem.7b00156
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发表时间：
2018-06
影响因子：
6.4
通讯作者：
N. Nagamura;Ryosuke Taniki;Y. Kitada;A. Masuda;Hiroaki Kobayashi;Nobuto Oka;I. Honma
中科院分区：
文献类型：
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作者：
N. Nagamura;Ryosuke Taniki;Y. Kitada;A. Masuda;Hiroaki Kobayashi;Nobuto Oka;I. Honma
有机储能装置的分子设计依赖于有机材料的电化学性质与其分子结构之间的相关性。在这里，我们报告了氧化还原活性材料醌族基本电子态的系统研究。聚环氧乙烷涂层作为洗脱抑制剂，有助于评估单个醌分子的电化学性能。此外，我们通过实验证实了LUMO能量及其相应的氧化还原电位如何取决于分子结构，包括芳香环的数量、官能团的位置和配位结构；这是通过元素和化学态选择性 X 射线吸收光谱以及 DFT 计算实现的。我们引入了描述分段还原过程的能量图；该图考虑了氧化还原反应期间的中间状态，以讨论主导电化学性质变化的过程作为分子结构......
The molecular design of organic energy-storage devices relies on correlations between the electrochemical properties of organic materials and their molecular structures. Here we report a systematic study of the fundamental electronic states of the quinone family of redox-active materials. Poly(ethylene oxide) coatings, as elution inhibitors, facilitated the evaluation of the electrochemical properties of single quinone molecules. Moreover, we confirmed experimentally how LUMO energies and their corresponding redox potentials depend on molecular structure, including the number of aromatic rings, the positions of functional groups, and coordination structures; this was achieved by elemental and chemical-state-selective X-ray absorption spectroscopy, and DFT calculations. We introduce an energy diagram depicting a segmentalized reduction process; this diagram considers the intermediate states during redox reactions to discuss processes that dominate changes in electrochemical properties as molecular structur...