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Regulation of the electric double-layer capacitance of MoS2/ionic liquid by carbon modification

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Abstract

Carbon modification can solve the aggregation problem of MoS2 sheets and change its surface hydrophilicity. In this work, a simple hydrothermal synthesis method was developed to prepare C/MoS2 composites and use them as electrode materials. Ionic Liquids of [BMIM][BF4] and [BMIM][PF6] acetonitrile solutions are used as electrolytes. The microstructure of C/MoS2/ILs electric double-layer capacitance is given by molecular dynamics simulation. Both simulation and experimental results show that carbon modification enhances the capacitance of MoS2 in ionic liquids. The experimental results show that the specific capacitance of 0.1069C/MoS2 in [BMIM][BF4] solution is 74.21F.g−1, 2.56 times that of pure MoS2. Due to the dual control of surface adsorption and ion transport, the capacitance in [BMIM] [BF4] is larger than that in [BMIM] [PF6]. Equilibrium molecular dynamic simulation results confirm that the interaction between [BMIM][PF6] and slit surface is stronger than [BMIM][BF4]. This leads to different affinities between the two different electrolytes and the material surfaces. Through non-equilibrium molecular dynamic simulation, considering the different migration rates of different ions in [BMIM][BF4] and [BMIM][PF6] solutions, the simulation and experiment are consistent in the trend of capacitance change. The results show that carbon modification can avoid the aggregation of MoS2, change the interaction between the surface and different ionic liquids, and thus regulate the capacitance performance.

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Acknowledgements

The authors acknowledge the funding support from the National Natural Science Foundation of China [21676137 Linghong Lu and 21838004 Linghong Lu]. The authors thank the High-Performance Computing Center of Nanjing Tech University for supporting the computational resources.

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  1. College of Chemical Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 211816, People’s Republic of China

    Zhengsong Weng, Jiabao Zhu, Linghong Lu, Yi Ma & Jinbo Cai

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Weng, Z., Zhu, J., Lu, L. et al. Regulation of the electric double-layer capacitance of MoS2/ionic liquid by carbon modification. J Appl Electrochem 53, 689–703 (2023). https://doi.org/10.1007/s10800-022-01802-x

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