Enhanced dielectric response of ternary polymeric composite films via interfacial bonding between V2C MXene and wide-bandgap ZnS

Deng, Qihuang; Xiong, Wei; Mao, Bingshuang; Bo, Maolin; Feng, Yefeng

doi:10.1016/j.ceramint.2021.08.192

Cited by 12 publications

(2 citation statements)

References 42 publications

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“…In this study, we used first-principles calculations to investigate the dielectric response of PPy/V 2 C Mxene-ZnO. For our calculations, we used the density functional theory (DFT) method, which is a widely used and well-established first-principles calculation method [40][41][42][43][44][45][46][47][48]. DFT is based on the idea that through the self-consistent solution of the Kohn-Sham equations, the total energy of a system may be represented as a function of the electron density.…”

Section: Methodsmentioning

confidence: 99%

Quantum Mechanical Study of the Dielectric Response of V2C-ZnO/PPy Ternary Nanocomposite for Energy Storage Application

Ezika

Sadiku

Adekoya

et al. 2023

J Inorg Organomet Polym

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With the proliferation of electronic gadgets and the internet of things comes a great need for lightweight, affordable, sustainable, and long-lasting power devices to combat the depletion of fossil fuel energy and the pollution produced by chemical energy storage. The use of high-energy-density polymer/ceramic composites is generating more curiosity for future technologies, and they require a high dielectric constant and breakdown strength. Electric percolation and Interface polarization are responsible for the high dielectric constant. To create composite dielectrics, high-conductivity ceramic particles are combined with polymers to improve the dielectric constant. In this work, ternary nanocomposites with better dielectric characteristics are created using a nanohybrid filler of V2C Mxene-ZnO in a polypyrrole (PPy) matrix. Then, the bonding and the uneven charge distribution in the ceramic/ceramic contact area are investigated using quantum mechanical calculations. This non-uniform distribution of charges is intended to improve the ceramic/ceramic interface’s dipole polarization (dielectric response). The interfacial chemical bond formation can also improve the hybrid filler’s stability in terms of structure and, consequently, of the composite films. To comprehend the electron-transfer process, the density of state and electron localization function of the ceramic hybrid fillers are also studied. The polymer nanocomposite is suggested to provide a suitable dielectric response for energy storage applications.

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Section: Methodsmentioning

confidence: 99%

Quantum Mechanical Study of the Dielectric Response of V2C-ZnO/PPy Ternary Nanocomposite for Energy Storage Application

Ezika

Sadiku

Adekoya

et al. 2023

J Inorg Organomet Polym

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show abstract

“…The density functional theory (DFT) method, which is based on the Kohn-Sham equation, is used. From the equation, the electron density function can be represented by the total energy of the system [20][21][22][23][24][25][26][27][28]. To define the electron-electron exchange within the composite, the exchange-correlation functionals were used in our calculations and were modelled using Perdew-Burke-Ernzerhof (PBE) and generalized gradient approximation (GGA).…”

Section: Methodsmentioning

confidence: 99%

Investigation of the Dielectric Response of PPy/V2C MXene–ZnO Using Quantum Mechanical Calculations

et al. 2023

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Significantly enhanced dielectric properties of Ti₃C₂T_x MXene/MoS₂/methylvinyl silicone rubber ternary composites by tuning the particle size of MoS₂

Zeng,

Tang

2024

Polymer Engineering & Sci

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To realize the great potential of silicone rubber in advanced electronics, high dielectric constant and low loss tangent are currently pursued. Adding a third phase to conductive filler/silicone rubber composites may enhance the properties of the composites, but the appropriate particle size of the third phase is an open question. Here, MoS2 was used as the third phase to prepare the Ti3C2Tx MXene/MoS2/methylvinyl silicone rubber (VMQ) ternary composites, and the influence of different sizes of MoS2 (200 nm and 2 μm) on the dielectric performance of the composites was investigated. The dielectric constant of the Ti3C2Tx MXene/VMQ composites with 5 wt% MoS2 nanoparticles shows a 279% enhancement from 2.78 to 7.75 at 103 Hz, better than that of the Ti3C2Tx MXene‐MoS2 hybrid fillers/VMQ composites. Compared with micron MoS2, nano MoS2 can significantly enhance the dielectric performance of conductive filler/polymer composites because of shorter interparticle distances and enhanced interfacial polarization. Meanwhile, the composites exhibit low loss tangent (lower than 0.0015) and good thermal stability (up to 400°C) because of the low filling amounts of Ti3C2Tx MXene and MoS2 nanoparticles. Excellent flexibility with Young's modulus of 285 kPa and elongations break of 446% was also obtained. The design of these ternary composites greatly improves the dielectric and mechanical properties, which means that the dielectric material has a broad application prospect in modern electronics industry.Highlights High dielectric constant was gained in Ti3C2Tx MXene/5n‐MoS2/VMQ composites. The MXene/5n‐MoS2/VMQ composites exhibited excellent mechanical properties. Appropriate filler size can benefit the performance of polymer composites.

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Enhanced dielectric response of ternary polymeric composite films via interfacial bonding between V2C MXene and wide-bandgap ZnS

Cited by 12 publications

References 42 publications

Quantum Mechanical Study of the Dielectric Response of V2C-ZnO/PPy Ternary Nanocomposite for Energy Storage Application

Quantum Mechanical Study of the Dielectric Response of V2C-ZnO/PPy Ternary Nanocomposite for Energy Storage Application

Investigation of the Dielectric Response of PPy/V2C MXene–ZnO Using Quantum Mechanical Calculations

Significantly enhanced dielectric properties of Ti₃C₂T_x MXene/MoS₂/methylvinyl silicone rubber ternary composites by tuning the particle size of MoS₂

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Enhanced dielectric response of ternary polymeric composite films via interfacial bonding between V2C MXene and wide-bandgap ZnS

Cited by 12 publications

References 42 publications

Quantum Mechanical Study of the Dielectric Response of V2C-ZnO/PPy Ternary Nanocomposite for Energy Storage Application

Quantum Mechanical Study of the Dielectric Response of V2C-ZnO/PPy Ternary Nanocomposite for Energy Storage Application

Investigation of the Dielectric Response of PPy/V2C MXene–ZnO Using Quantum Mechanical Calculations

Significantly enhanced dielectric properties of Ti3C2Tx MXene/MoS2/methylvinyl silicone rubber ternary composites by tuning the particle size of MoS2

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Significantly enhanced dielectric properties of Ti₃C₂T_x MXene/MoS₂/methylvinyl silicone rubber ternary composites by tuning the particle size of MoS₂