Hydroxyl group of cellulose derivatives in promoting Li+ transport mechanism in solid polymer electrolyte membrane†

IF 5 3区 材料科学 Q2 CHEMISTRY, PHYSICAL Sustainable Energy & Fuels Pub Date : 2024-10-01 DOI:10.1039/D4SE01056F
Qolby Sabrina, Nurhalis Majid, Titik Lestariningsih, Sun Theo Constan Lotebulo Ndruru, Aditya Wibawa Sakti, Akihide Sugawara, Rike Yudianti and Hiroshi Uyama
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Abstract

The incorporation of nanocellulose (NC) with cellulose derivatives, specifically hydroxypropyl methylcellulose (HPMC), hydroxypropyl cellulose (HPC), and hydroxyethyl cellulose (HEC), resulting in a solid polymer electrolyte (SPE). The impact of the hydroxyl group on these cellulose derivatives on the nano cellulose-based solid polymer electrolyte (SPE) was examined in terms of its physical characteristics and electrochemical efficiency. Molecular docking simulations were employed to examine the interaction between LiTFSI and hydroxyl groups in the polymer matrix, seeking to gain a greater understanding of the dissociation mechanism of LiTFSI and facilitate the mobility of the Li cation. The XPS and FTIR spectra prove that the HPMC/NC composite solid polymer electrolyte (SPE) polymer chain forms a novel interaction bond with the TFSI anion. Consequently, it enables simple transport of a large number of free Li+ ions, leading to a significant ionic conductivity of 1.05 × 10−3 S cm−1. The lithium transfer number for the composite of HPMC, HPC, and HEC in NC composite was 0.59, 0.35, and 0.49, respectively. The HPMC/NC composite (4 V) exhibits a more excellent lithium battery potential range compared to HPC (2.5 V) and HEC (3 V) as identified through linear sweep voltammetry (LSV). The aforementioned discoveries suggest that the presence of a hydroxyl structure in the HPMC/NC composition led to the highest mechanical qualities and enhanced electrochemical performance. This indicates that the hydroxyl group in HPMC/NC can serve as a solid polymer electrolyte for lithium-ion batteries and effective energy storage.

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纤维素衍生物的羟基促进固体聚合物电解质膜中 Li+ 的传输机制†。
将纳米纤维素(NC)与纤维素衍生物(特别是羟丙基甲基纤维素(HPMC)、羟丙基纤维素(HPC)和羟乙基纤维素(HEC))结合,制成固体聚合物电解质(SPE)。从物理特性和电化学效率的角度研究了这些纤维素衍生物上的羟基对纳米纤维素基固体聚合物电解质(SPE)的影响。通过分子对接模拟研究了 LiTFSI 与聚合物基质中羟基之间的相互作用,从而进一步了解了 LiTFSI 的解离机制,并促进了锂阳离子的流动性。XPS 和傅立叶变换红外光谱证明,HPMC/NC 复合固体聚合物电解质(SPE)聚合物链与 TFSI 阴离子形成了新的相互作用键。因此,它能简单地传输大量游离 Li+ 离子,使离子电导率达到 1.05 × 10-3 S cm-1。HPMC、HPC 和 HEC 在 NC 复合材料中的锂转移数分别为 0.59、0.35 和 0.49。通过线性扫描伏安法(LSV)确定,与 HPC(2.5 V)和 HEC(3 V)相比,HPMC/NC 复合材料(4 V)显示出更出色的锂电池电位范围。上述发现表明,HPMC/NC 成分中羟基结构的存在导致了最高的机械质量和更强的电化学性能。这表明,HPMC/NC 中的羟基可用作锂离子电池的固体聚合物电解质,并能有效储存能量。
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来源期刊
Sustainable Energy & Fuels
Sustainable Energy & Fuels Energy-Energy Engineering and Power Technology
CiteScore
10.00
自引率
3.60%
发文量
394
期刊介绍: Sustainable Energy & Fuels will publish research that contributes to the development of sustainable energy technologies with a particular emphasis on new and next-generation technologies.
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