Chain Trajectory, Chain Packing, and Molecular Dynamics of Semicrystalline Polymers as Studied by Solid-State NMR

Wang, Shijun; Hong, You‐lee; Yuan, Shichen; Chen, Wei; Zhou, Wenda; Li, Zhen; Wang, Kun; Xu, Min; Konishi, Takashi; Miyoshi, Toshikazu

doi:10.3390/polym10070775

Cited by 9 publications

(9 citation statements)

References 94 publications

(230 reference statements)

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“…For example, most PEO/Li + complexes are semi-crystalline [23]. In semi-crystalline polymers, the crystallites are always surrounded by non-crystalline structures [24][25][26]. Such morphologies are also present in most PEO/Li + complexes.…”

Section: Introductionmentioning

confidence: 99%

Probing the Dynamics of Li+ Ions on the Crystal Surface: A Solid-State NMR Study

et al. 2020

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Polyethylene oxide-based solid polymer electrolytes (SPEs) are of research interest because of their potential applications in all-solid-state Li + batteries. However, despite their advantages in terms of compatibility with the electrodes and easy processing, polyethylene oxide (PEO)/Li + complexes often suffer from low conductivity at room temperature. Understanding the conduction mechanism and, in turn, developing strategies to improve the conductivity have long been the main objectives underlying research into PEO/Li + complex electrolytes. Here, we prepared several special PEO/Li + complex samples where the PEO/Li + complex structures were located on the surfaces of PEO crystals and consisted of high content chain ends. We found two different Li + species in the PEO/Li + complex structures via solid-state nuclear magnetic resonance (NMR). The 2D 7 Li exchange NMR showed the exchange process between the different Li + species. The exchange dynamics of the Li + ions provide a molecular mechanism of the Li + transportation in the surface of PEO crystal lamella, which is further correlated with the ionic conduction mechanism of the PEO/Li + complex structure.

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Section: Introductionmentioning

confidence: 99%

Probing the Dynamics of Li+ Ions on the Crystal Surface: A Solid-State NMR Study

et al. 2020

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“…Polymer crystallization is a dynamic process of reorganizing the random coil chain to a folded chain, a motif conformation in lamellar polymer crystals. − Quantifying chain folding is particularly important for the disclosure of the kinetic mechanism of polymer crystallization at the molecular level as well as the development of advanced polymer materials . Various techniques, including neutron scattering (NS), − infrared (IR) spectroscopy, , transmission electron microscopy (TEM), solid-state NMR, − and theoretical simulations, − have been employed to characterize the chain folding. However, the quantification of the chain folding is quite challenging, and the results are quite inconsistent.…”

mentioning

confidence: 99%

Quantifying the Chain Folding in Polymer Single Crystals by Single-Molecule Force Spectroscopy

Yang

Zhang

et al. 2019

ACS Macro Lett.

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Chain folding is a motif of polymer crystallization, which is essential for determining the crystallization kinetics. However, the experimental quantification of the chain folding remains a challenge because of limited instrumental resolution. Here, we quantify chain folding in solution-grown single crystals by using atomic force microscopy (AFM)-based single-molecule force spectroscopy. The fingerprint spectrum of force-induced chain motion allows us to decipher the adjacent and nonadjacent re-entry folding with spatial resolution of subnanometers. The average fractions of adjacent re-entry folds ⟨f⟩ are in the range 91−95% for polycaprolactone, poly-L-lactic acid, and polyamide 66, which is higher than the values determined by other classical technologies. The established single-molecule method is applicable to a broad range of crystalline polymer systems with different chain conformations or compositions.

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Section: Introductionmentioning

confidence: 99%

“…Chain fold is a basic feature of polymer crystallization [23,24]. In the past few years, a lot of studies have been done on polymer fold [23][24][25][26][27][28][29][30][31][32][33][34][35][36][37]. Ungar et al [25,26] studied on the monodisperse polymers and showed more information about polymer crystallization, such as integer folding, non-integer folding, lamellar thickening and the nature of fold surface and end surface.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulations on the Chain Fold During the Isothermal Orientation of n-Alkanes on Graphene

Zhang

Yang²,

Jun

et al. 2021

Preprint

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The orientation of hydrocarbon chains plays a key role in the applications of organic materials. And chain folding in the process of molecular orientation is also of great significance for the design of organic molecular thin films. The effect of chain length and simulation temperature on the isothermal orientation of n-alkanes on graphene surface is studied by molecular dynamics simulation in this paper. And the chain folding is also described. The n-alkanes can form perpendicular ordered structure, parallel ordered structure or perpendicular orientation at relative low temperature and parallel orientation at relative high temperature on graphene surface. The chain fold happens when long n-alkanes form perpendicular ordered structure on graphene surface. And the simulation results show the interactions of n-alkane−graphene and n-alkane−n-alkane affect chain fold.

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Chain Trajectory, Chain Packing, and Molecular Dynamics of Semicrystalline Polymers as Studied by Solid-State NMR

Cited by 9 publications

References 94 publications

Probing the Dynamics of Li+ Ions on the Crystal Surface: A Solid-State NMR Study

Probing the Dynamics of Li+ Ions on the Crystal Surface: A Solid-State NMR Study

Quantifying the Chain Folding in Polymer Single Crystals by Single-Molecule Force Spectroscopy

Molecular Dynamics Simulations on the Chain Fold During the Isothermal Orientation of n-Alkanes on Graphene

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