1.國立成功大學化學工程學系Department of Chemical Engineering, College of Engineering/跨維綠能材料研究中心Department of Chemical Engineering and Hierarchical Green-Energy Materials Research Center, National Cheng Kung University

2.國立成功大學藥學系School of Pharmacy, National Cheng Kung University

3.美國橡樹嶺國家實驗室化學科學部門Chemical Sciences Division, Oak Ridge National Laboratory

4.淡江大學化學系Department of Chemistry, Tamkang University

5.國立成功大學核心設施中心Instrument Center, National Cheng Kung University

可接受多電子之自組裝有機分子作為高效能鋰離子電池正極材料

關鍵字:鋰離子電池，有機正極材料，高能量密度，高充放電速率，高循環穩定性

Key words：Li-ion batteries, organic cathode materials, high capacity, high discharge-charge rate, high cycling stability

因應電動車、綠能及大規模儲能科技的發展，乾淨且永續的儲能材料是必備的，有機材料質輕不含金屬，製造過程較環境友善，可回收再利用，深具發展潛力。本實驗室利用六氮聯三伸苯醌衍生物小分子 HATAQ作為鋰離子電池的正極材料，其具有多重氧化還原活性位置，分子間經由氫鍵作用力連接而成類石墨的層狀構造，使其在充放電過程中及鋰離子進出時維持穩定的結構。因此，以HATAQ 製成之正極材料呈現極為優異的充放電結果，在電流密度200 mA g^-1 的情況下可達到電容量426 mAh g^-1，即便在超高電流密度10,000 mA g^-1，仍可維持209 mAh g^-1 的電容量，並且經過1000次充放電循環還可保持85%的電容量，為現今最佳充放電表現的鋰離子電池有機正極材料，遠勝於目前市面上以無機電極組成的鋰離子電池。

An ever-increasing demand for grid energy storage led to an exponential growth of research into alternative and sustainable battery technologies. Organic electrode materials possess many advantages such as low toxicity, sustainability, and chemical/structural tunability toward high energy density. Small organic molecules with multiple redox-active sites show promise in the development of next-generation electric energy storage systems when used as an active materials in a cathode in lithium-ion batteries (LIBs). Herein we report a comprehensive strategy on the molecular design and preparation of small organic electron acceptor molecule — hexaazatriphenylene embedded quinone (HATAQ). A unique pattern of unconventional hydrogen bonds in the solid state facilitates the formation of a supramolecular graphite-like layered arrangement, leading to retention of the overall structure even during lithiation and delithiation processes. The HATAQ cathode material displays reversible capacities of up to 426 mAh g^-1 at 200 mA g^-1 and 209 mAh g^-1 at 10,000 mA g^-1 and nearly 85% capacity retention after 1000 cycles respectively have been obtained. This performance is superior to that of all commercial LIBs.

圖(一)以具多重氧化還原活性位置的有機小分子HATAQ為正極所製成的鋰離子電池可提供高電容量、高充放電速率，以及高循環穩定性。

Figure 1 HATAQ cathode for Li-ion batteries exhibits high discharge-charge rate and high capacity with excellent retention.