Effect of Bonded Interfacial Structure on Mechanical Properties of Polyimide/SiO<sub>2</sub>Composites: Molecular Dynamics Simulations

Wang, Yu; Yang, Wenlong; Liu, Xinmei; Lin, Jiaqi; Sun, Hao

doi:10.1002/mats.201900045

Cited by 15 publications

(6 citation statements)

References 33 publications

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“…In contrast, the barriers for Na diffusing in the interface regions are higher because of the repulsion between Na and PANI. Nonetheless, these values are still comparable to those obtained on other hybrid 2D systems [46,47], suggesting that the formed M/P composites could afford fast charging/discharging rates as SIB electrodes. This conjecture can also be supported by the estimated diffusion coefficient according to D = A 2 v * exp (−∆E/K B T), where a, v, ∆E, K B and T are the distance between the two nearest neighboring sites, the hopping frequency (∼10 13 Hz), the diffusion barrier, the Boltzmann constant, and temperature (300 K), respectively.…”

Section: Resultssupporting

confidence: 79%

Exploration of MXene/polyaniline composites as promising anode materials for sodium ion batteries

Zhou¹,

Kuang²,

Liang³

et al. 2020

J. Phys. D: Appl. Phys.

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MXenes are one of the most promising electrode materials in energy storage devices owing to their unique properties, but the practical applications have been severely plagued by the low accessible electroactive area due to their inevitable restacking during electrode preparation. Recent experimental studies have reported that the additivepolyaniline (PANI) enables us to greatly improve the electrochemical performance of MXene-based electrodes. Herein, we systematically investigate the electronic, electrochemical and mechanical properties of MXene/PANI composites, aiming to acquire a comprehensive insight. The results demonstrate that the insertion of PANI allows effective suppression of the restacking and enhances the electric conductivity and mechanical flexibility. Moreover, the presence of PANI maintains the high Na adsorption strength and fast Na mobility and preserves well the average open circuit voltage features and the maximum Na content of MXenes. These favorable attributes may not only collectively explain the experimentally observed outstanding electrochemical performance, but also render the MXene/PANI composites promising anode candidates in Na-ion batteries.

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Section: Resultssupporting

confidence: 79%

Exploration of MXene/polyaniline composites as promising anode materials for sodium ion batteries

Zhou¹,

Kuang²,

Liang³

et al. 2020

J. Phys. D: Appl. Phys.

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“…Considering that the hydrogens at the SOD surface and N/O atoms in the PI form hydrogen bonds, these results indicate that the adhesion force contributed by the hydrogen bond is similar before and after the plasma process. [34] The applicability of our laser detachment method was demonstrated for flexible a-IGZO TFTs on PI substrates. [25] The inner region of each carrier surface was controlled to have different adhesion values (<1.50, 3.33, and 12.1 kgf m -1 ).…”

Section: Resultsmentioning

confidence: 96%

Stress‐Free Detachment of Flexible Substrate from Glass Carrier Using CO₂ Point Laser for Large‐Area Applications

Park

Seong

Park

et al. 2023

Adv Materials Inter

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A novel detachment method is presented for flexible substrates from glass carrier wafers using a CO2 point laser. In a conventional laser lift‐off process, laser‐induced illumination and thermal stress degrade device performance. In this approach, a point laser is applied on the edge of the flexible substrate, where electrical components do not exist, and thus, no performance degradation occurs during the laser process. In addition, the carrier surface properties are modified to control the adhesion force between the flexible substrate and the glass carrier. A spin‐on‐dielectric layer (SOD) is utilized, and Ar ion bombardment is performed on SOD. The point laser detachment method is demonstrated in flexible thin‐film transistors, and no change is observed in the electrical characteristics before and after detachment from the carrier wafer.

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“…The number of hydrogen bonds could be calculated by the radial distribution function, which could describe the distribution probability of the particles. [20] The number of hydrogen bonds of N…H and O….H were calculated by integrating g(N…H) and g(O…H).…”

Section: Hydrogen Bondsmentioning

confidence: 99%

“…The non-bond interaction energy between polymer and particles could be obtained as Equation 3. [20] E…”

Section: Non-bond Interaction Energymentioning

confidence: 99%

Polyimide/Silica Nanocomposites with Enhanced Tensile Strength: Size Effects and Covalently Bonded Interface

Wang

Yang

Lin

et al. 2022

Macro Theory & Simulations

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In this work, the tensile strength of polyimide/silica composites with the covalently bonded interface (bonded PI/SiO 2 ) is investigated by molecular dynamic simulation. It is found that the nanofiller with smaller size can bring out a larger number of hydrogen bonds and interfacial non-bond energy in the composites, resulting in higher tensile strength. As the immobilization of the PI chains in the vicinity of SiO 2 , the covalently bonded interface is found to offer a greater reinforcing effect than the unbonded interface that is confirmed by the self-diffusion coefficient. The tensile strength of 9 wt.% bonded PI/SiO 2 composites is 11.34% higher than that of the unbounded composites. The tensile strength of PI/SiO 2 composites is enhanced with the increase of SiO 2 concentration up to critical mass percent (X c ), beyond which it will be decreased. To quantitatively predict X c of PI/SiO 2 composites, an empirical equation based on the non-bond energy of the composites is proposed. The empirical equation showed that the X c of PI/SiO 2 composites ranged from 8.03 to 10.36 wt.%, which is consistent with experimental values. These results provided the understanding of size-dependent covalently bonded interface structure, which would be beneficial to the design of nanocomposites with excellent mechanical performances.

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Effect of Bonded Interfacial Structure on Mechanical Properties of Polyimide/SiO₂Composites: Molecular Dynamics Simulations

Cited by 15 publications

References 33 publications

Exploration of MXene/polyaniline composites as promising anode materials for sodium ion batteries

Exploration of MXene/polyaniline composites as promising anode materials for sodium ion batteries

Stress‐Free Detachment of Flexible Substrate from Glass Carrier Using CO₂ Point Laser for Large‐Area Applications

Polyimide/Silica Nanocomposites with Enhanced Tensile Strength: Size Effects and Covalently Bonded Interface

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Effect of Bonded Interfacial Structure on Mechanical Properties of Polyimide/SiO2Composites: Molecular Dynamics Simulations

Cited by 15 publications

References 33 publications

Exploration of MXene/polyaniline composites as promising anode materials for sodium ion batteries

Exploration of MXene/polyaniline composites as promising anode materials for sodium ion batteries

Stress‐Free Detachment of Flexible Substrate from Glass Carrier Using CO2 Point Laser for Large‐Area Applications

Polyimide/Silica Nanocomposites with Enhanced Tensile Strength: Size Effects and Covalently Bonded Interface

Contact Info

Product

Resources

About

Effect of Bonded Interfacial Structure on Mechanical Properties of Polyimide/SiO₂Composites: Molecular Dynamics Simulations

Stress‐Free Detachment of Flexible Substrate from Glass Carrier Using CO₂ Point Laser for Large‐Area Applications