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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Atomic/molecular layer deposition and electrochemical performance of dilithium 2-aminoterephthalate
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Atomic/molecular layer deposition and electrochemical performance of dilithium 2-aminoterephthalate

机译：原子/分子层沉积和二氨基苯二甲酸镁的电化学性能

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摘要

Control of the redox potential of lithium terephthalate Li2TP anode material is demonstrated by functionalizing its terephthalate backbone with an electron-donating amino group; this lowers - as intended - the redox potential of Li2TP by 0.14 V. The two Li-organic electrode materials, Li2TP and Li2TP-NH2, are fabricated as crystalline thin films from gaseous precursors using the atomic/molecular layer deposition (ALD/MLD) technique. The amino-functionalized material possesses a previously unknown crystal structure, addressed here by applying the USPEX evolutionary algorithm for the structure prediction and then LeBail fitting of the experimental XRD pattern based on the predicted structure model. The ALD/MLD fabrication yields in situ lithiated active electrode materials without any conductive additivies or binders and thus allows a straightforward evaluation of their intrinsic electrochemical properties. Comparison between Li2TP and its amino-functionalized derivative reveals inferior capacity retention and rate capability characteristics for the latter, which somewhat counterveils the pros-and-cons balance between the two Li-organic electrode materials. From galvanostatic cycling experiments and post-mortem XRD and SEM analysis, the issue with Li2TP-NH2 is revealed to be in the morphology changes occurring during the discharge/charge cycling.
机译：通过用给苯二甲酸盐与电子给予氨基官能化骨架来证明对苯二甲酸锂Li2TP阳极材料的氧化还原电位的控制;这种降低 - 如预期 - Li2TP的氧化还原电位0.14 V.211-有机电极材料，Li2TP和Li2TP-NH2，用原子/分子层沉积（ALD / MLD）从气态前体（ALD / MLD）制成晶体前体的结晶薄膜技术。氨基官能化材料具有以前未知的晶体结构，通过应用于结构预测的USPEX进化算法，然后基于预测结构模型的实验XRD图案的Lebail拟合。 ALD / MLD制造在没有任何导电的添加剂或粘合剂的情况下原位锂化的活性电极材料，因此允许对其本质电化学性质的直接评估。 Li2TP和其氨基官能化衍生物的比较可知对于后者，这在一定程度counterveils两个锂有机电极材料之间的利弊和 - 利弊平衡较差的容量保持率和容量特性。从镀锌循环实验和验尸XRD和SEM分析，Li2TP-NH2的问题被揭示到放电/充电循环期间发生的形态变化。

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